ChemSpider 2D Image | (3beta)-28-Methoxy-28-oxoolean-12-en-3-yl methyl hexopyranosiduronate | C38H60O9

(3β)-28-Methoxy-28-oxoolean-12-en-3-yl methyl hexopyranosiduronate

  • Molecular FormulaC38H60O9
  • Average mass660.878 Da
  • Monoisotopic mass660.423706 Da
  • ChemSpider ID341628

  • defined stereocentres - 8 of 13 defined stereocentres

More details:

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

(3β)-28-Methoxy-28-oxoolean-12-en-3-yl methyl hexopyranosiduronate [ACD/IUPAC Name]
(3β)-28-Methoxy-28-oxoolean-12-en-3-yl-methylhexopyranosiduronat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[(6-methylhexopyranuronosyl)oxy]-, methyl ester, (3β)- [ACD/Index Name]

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

NCI60_027243 [DBID]
NSC676785 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 201.7±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 177.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.74
ACD/LogD (pH 5.5): 9.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1907058.63
ACD/LogD (pH 7.4): 9.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1907031.38
Polar Surface Area: 132 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 545.3±5.0 cm3

Click to predict properties on the Chemicalize site


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