ChemSpider 2D Image | Geniposide pentaacetate | C27H34O15

Geniposide pentaacetate

  • Molecular FormulaC27H34O15
  • Average mass598.550 Da
  • Monoisotopic mass598.189758 Da
  • ChemSpider ID142348

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,4aS,7aS)-7-(Acétoxyméthyl)-1-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tétrahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
49776-64-9 [RN]
Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, methyl ester, (1S,4aS,7aS)- [ACD/Index Name]
Geniposide pentaacetate
Methyl (1S,4aS,7aS)-7-(acetoxymethyl)-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl (1S,4aS,7aS)-7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cyclopenta[c]pyran-4-carboxylate
Methyl-(1S,4aS,7aS)-7-(acetoxymethyl)-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]
(Ac)5-GP
1-(β-D-2',3',4',6'-Tetraacetylglucopyranosyloxyl)-1,4a,5,7a-tetrahydro-7-(acetomethyl)cyclopentapyran-4-carboxylic acid methyl ester
Cyclopenta(c)pyran-4-carboxylic acid, 7-((acetyloxy)methyl)-1,4a,5,7a-tetrahydro-1-((2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy)-, methyl ester, (1S-(1α,4aα,7aα))-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C11639 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 640.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 267.5±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.91
ACD/KOC (pH 5.5): 620.09
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.91
ACD/KOC (pH 7.4): 620.09
Polar Surface Area: 185 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 440.4±5.0 cm3

Click to predict properties on the Chemicalize site


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