ChemSpider 2D Image | (3beta)-30-Hydroxy-11-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid | C42H64O15

(3β)-30-Hydroxy-11-oxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid

  • Molecular FormulaC42H64O15
  • Average mass808.949 Da
  • Monoisotopic mass808.424500 Da
  • ChemSpider ID398896

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β)-30-Hydroxy-11-oxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-30-Hydroxy-11-oxoolean-12-en-3-yl-2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronique de (3β)-30-hydroxy-11-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-11-one, 3-[(2-O-β-D-glucopyranuronosyl-α-D-glucopyranuronosyl)oxy]-30-hydroxy-, (3β)- [ACD/Index Name]
134250-15-0 [RN]
18β-Olean-12-ene-11-oxo-3β,30-diol-3-O-β-D-glucuronopyranosyl(1->2)β-D-glucuronopyranoside
18β-Olean-12-ene-11-oxo-3β,30-diol-3-O-β-D-glucuronopyranosyl(1-2)β-D-glucuronopyranoside
β-D-Glucopyranosiduronic acid, (3b,20b)-29-hydroxy-11-oxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-
β-D-Glucopyranosiduronic acid, (3b,20b)-29-hydroxy-11-oxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-

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

AIDS002511 [DBID]
AIDS-002511 [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: 943.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.7±6.0 kJ/mol
Flash Point: 279.1±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 201.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.66
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 575.9±5.0 cm3

Click to predict properties on the Chemicalize site


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