ChemSpider 2D Image | (3beta,16alpha)-16-Hydroxy-28-methoxy-28-oxoolean-12-en-3-yl methyl hexopyranosiduronate | C38H60O10

(3β,16α)-16-Hydroxy-28-methoxy-28-oxoolean-12-en-3-yl methyl hexopyranosiduronate

  • Molecular FormulaC38H60O10
  • Average mass676.877 Da
  • Monoisotopic mass676.418640 Da
  • ChemSpider ID341637

  • defined stereocentres - 9 of 14 defined stereocentres

More details:

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

(3β,16α)-16-Hydroxy-28-methoxy-28-oxoolean-12-en-3-yl methyl hexopyranosiduronate [ACD/IUPAC Name]
(3β,16α)-16-Hydroxy-28-methoxy-28-oxoolean-12-en-3-yl-methylhexopyranosiduronat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 16-hydroxy-3-[(6-methylhexopyranuronosyl)oxy]-, methyl ester, (3β,16α)- [ACD/Index Name]

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

NCI60_027254 [DBID]
NSC676796 [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: 717.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 210.9±26.4 °C
Index of Refraction: 1.572
Molar Refractivity: 178.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 9.26
ACD/LogD (pH 5.5): 7.73
ACD/BCF (pH 5.5): 438228.63
ACD/KOC (pH 5.5): 380103.34
ACD/LogD (pH 7.4): 7.73
ACD/BCF (pH 7.4): 438222.38
ACD/KOC (pH 7.4): 380097.94
Polar Surface Area: 152 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 543.1±5.0 cm3

Click to predict properties on the Chemicalize site


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