ChemSpider 2D Image | GYMNEMIC ACID IV | C41H64O13

GYMNEMIC ACID IV

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID10259160

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 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-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,16β,21β,22α)-16,22,23,28-Tetrahydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
121903-96-6 [RN]
2-Butenoic acid, 2-methyl-, (3β,16β,21β,22α)-3-(β-D-glucopyranuronosyloxy)-16,22,23,28-tetrahydroxyolean-12-en-21-yl ester, (2E)- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de (3β,16β,21β,22α)-16,22,23,28-tétrahydroxy-21-{[(2E)-2-méthyl-2-butenoyl]oxy}oléan-12-én-3-yle [French] [ACD/IUPAC Name]
GYMNEMIC ACID IV

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

53ZB8903Z1 [DBID]
UNII:53ZB8903Z1 [DBID]
UNII-53ZB8903Z1 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 865.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.0±6.0 kJ/mol
Flash Point: 255.1±27.8 °C
Index of Refraction: 1.608
Molar Refractivity: 196.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.09
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 568.2±5.0 cm3

Click to predict properties on the Chemicalize site


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