ChemSpider 2D Image | gypsogenin 3-O-rhamnosylglucosiduronic acid | C42H64O14

gypsogenin 3-O-rhamnosylglucosiduronic acid

  • Molecular FormulaC42H64O14
  • Average mass792.949 Da
  • Monoisotopic mass792.429626 Da
  • ChemSpider ID390501

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl-3-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 3-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronique de (3β)-28-hydroxy-23,28-dioxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
gypsogenin 3-O-rhamnosylglucosiduronic acid
Olean-12-en-28-oic acid, 3-[[3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranuronosyl]oxy]-23-oxo-, (3β)- [ACD/Index Name]
110064-53-4 [RN]
28-hydroxy-23,28-dioxoolean-12-en-3β-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronic acid
B-D-GLUCOPYRANOSIDURONIC ACID, (3B,4A)-17-CARBOXY-23-OXO-28-NOROLEAN-12-EN-3-YL3-O-(6-DEOXY-A-L-MANNOPYRANOSYL)-(9CI)
Gypsogenin 3-O-rhamnosylglucuronide
gypsogenin 3-O-rhamnosylglucuronoside

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

C08952 [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: 913.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.8±6.0 kJ/mol
Flash Point: 270.0±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 199.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 9.03
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 18.28
ACD/KOC (pH 5.5): 24.34
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 2.33
Polar Surface Area: 230 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 579.0±5.0 cm3

Click to predict properties on the Chemicalize site


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