ChemSpider 2D Image | GYMNEMIC ACID VIII | C47H74O18

GYMNEMIC ACID VIII

  • Molecular FormulaC47H74O18
  • Average mass927.080 Da
  • Monoisotopic mass926.487488 Da
  • ChemSpider ID34992792

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,16β,21β,22α)-16,22,23,28-Tetrahydroxy-21-{[(2S)-2-methylbutanoyl]oxy}olean-12-en-3-yl 3-O-β-D-arabino-hexopyranosyl-2-ulose-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,16β,21β,22α)-16,22,23,28-Tetrahydroxy-21-{[(2S)-2-methylbutanoyl]oxy}olean-12-en-3-yl-3-O-β-D-arabino-hexopyranosyl-2-ulose-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
131653-19-5 [RN]
Acide 3-O-β-D-arabino-hexopyranosyl-2-ulose-β-D-glucopyranosiduronique de (3β,16β,21β,22α)-16,22,23,28-tétrahydroxy-21-{[(2S)-2-méthylbutanoyl]oxy}oléan-12-én-3-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (3β,16β,21β,22α)-3-[(3-O-β-D-arabino-hexopyranosyl-2-ulose-β-D-glucopyranuronosyl)oxy]-16,22,23,28-tetrahydroxyolean-12-en-21-yl ester, (2S)- [ACD/Index Name]
GYMNEMIC ACID VIII

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

O9N5N83DZZ [DBID]
UNII:O9N5N83DZZ [DBID]
UNII-O9N5N83DZZ [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: 1015.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.0±6.0 kJ/mol
Flash Point: 290.1±27.8 °C
Index of Refraction: 1.614
Molar Refractivity: 229.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 10.69
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 300 Å2
Polarizability: 90.8±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 657.6±5.0 cm3

Click to predict properties on the Chemicalize site


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