ChemSpider 2D Image | (3beta)-28-[(6-Methoxy-6-oxohexyl)amino]-28-oxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid | C43H69NO10

(3β)-28-[(6-Methoxy-6-oxohexyl)amino]-28-oxoolean-12-en-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC43H69NO10
  • Average mass760.009 Da
  • Monoisotopic mass759.492126 Da
  • ChemSpider ID30808990

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β)-28-[(6-Methoxy-6-oxohexyl)amino]-28-oxoolean-12-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-28-[(6-Methoxy-6-oxohexyl)amino]-28-oxoolean-12-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (3β)-28-[(6-méthoxy-6-oxohexyl)amino]-28-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[(3β)-3-(β-D-glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]amino]-, methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 843.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.4±6.0 kJ/mol
Flash Point: 464.1±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 203.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 172.29
ACD/KOC (pH 5.5): 219.86
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 21.95
ACD/KOC (pH 7.4): 28.01
Polar Surface Area: 172 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 620.6±5.0 cm3

Click to predict properties on the Chemicalize site


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