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Pentacarboxylic acids and derivatives

Organic compounds that contain five carboxyl groups; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from pentacarboxylic acids.

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1

alpha-D-Galactose pentaacetate

CAS: 4163-59-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose PubChem CID: 6432426 ChEBI: CHEBI:63145 IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

PubChem CID 6432426
CAS 4163-59-1
Molecular Weight (g/mol) 390.34
ChEBI CHEBI:63145
MDL Number MFCD00064081
SMILES CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Synonym alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose
IUPAC Name [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
InChI Key LPTITAGPBXDDGR-UHFFFAOYNA-N
Molecular Formula C16H22O11
2

alpha-D-Glucose pentaacetate, 99%

CAS: 604-68-2 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064071,MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate PubChem CID: 2723636 IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

PubChem CID 2723636
CAS 604-68-2
Molecular Weight (g/mol) 390.34
MDL Number MFCD00064071,MFCD00064081
SMILES CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Synonym alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate
IUPAC Name [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
InChI Key LPTITAGPBXDDGR-UHFFFAOYNA-N
Molecular Formula C16H22O11
3

Thermo Scientific Chemicals alpha-D-Glucose pentaacetate, 98%

CAS: 604-68-2 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064071,MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate PubChem CID: 2723636 IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

PubChem CID 2723636
CAS 604-68-2
Molecular Weight (g/mol) 390.34
MDL Number MFCD00064071,MFCD00064081
SMILES CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Synonym alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate
IUPAC Name [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
InChI Key LPTITAGPBXDDGR-UHFFFAOYNA-N
Molecular Formula C16H22O11
4

Thermo Scientific Chemicals 1,2,3,4,6-Penta-O-acetyl-D-mannopyranose, 98%

CAS: 25941-03-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD05864874 InChI Key: LPTITAGPBXDDGR-WHWZVRATSA-N Synonym: 1,2,3,4,6-penta-o-acetyl-d-mannopyranose,d-mannopyranose pentaacetate,3s,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,mannopyranose pentaacetate,d-mannopyranose, pentaacetate,1,2,3,4,6-pentaacetate d-mannopyranose,d-mannopyranose,1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-dmannopyranose,1,2,3,4,6-penta-o-acetyl-alpha,beta-d-mannose PubChem CID: 11811209 IUPAC Name: [(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

PubChem CID 11811209
CAS 25941-03-1
Molecular Weight (g/mol) 390.341
MDL Number MFCD05864874
SMILES CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Synonym 1,2,3,4,6-penta-o-acetyl-d-mannopyranose,d-mannopyranose pentaacetate,3s,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,mannopyranose pentaacetate,d-mannopyranose, pentaacetate,1,2,3,4,6-pentaacetate d-mannopyranose,d-mannopyranose,1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-dmannopyranose,1,2,3,4,6-penta-o-acetyl-alpha,beta-d-mannose
IUPAC Name [(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
InChI Key LPTITAGPBXDDGR-WHWZVRATSA-N
Molecular Formula C16H22O11
5

Thapsigargin, TRC

CAS: 67526-95-8 Molecular Formula: C34 H50 O12 Molecular Weight (g/mol): 650.75 Synonym: Octanoic acid, (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester (9CI),Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester, [3S-[3α,3aβ,4α,6β,6aβ,7β,8α(Z),9bα]]-,Azuleno[4,5-b]furan, octanoic acid deriv.,(-)-Thapsigargin,Thapsigargin IUPAC Name: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C

CAS 67526-95-8
Molecular Weight (g/mol) 650.75
SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C
Synonym Octanoic acid, (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester (9CI),Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester, [3S-[3α,3aβ,4α,6β,6aβ,7β,8α(Z),9bα]]-,Azuleno[4,5-b]furan, octanoic acid deriv.,(-)-Thapsigargin,Thapsigargin
IUPAC Name [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
Molecular Formula C34 H50 O12
6

α-D-Glucose Pentaacetate, MP Biomedicals™

CAS: 604-68-2 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064071,MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate PubChem CID: 2723636 IUPAC Name: [3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

PubChem CID 2723636
CAS 604-68-2
Molecular Weight (g/mol) 390.34
MDL Number MFCD00064071,MFCD00064081
SMILES CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Synonym alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate
IUPAC Name [3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl acetate
InChI Key LPTITAGPBXDDGR-UHFFFAOYNA-N
Molecular Formula C16H22O11