ChemSpider 2D Image | (3beta)-3-(beta-D-Glucopyranuronosyloxy)olean-12-en-28-oate | C36H54O9

(3β)-3-(β-D-Glucopyranuronosyloxy)olean-12-en-28-oate

  • Molecular FormulaC36H54O9
  • Average mass630.810 Da
  • Monoisotopic mass630.377869 Da
  • ChemSpider ID128920983

  • Charge - Charge

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β)-3-(β-D-Glucopyranuronosyloxy)olean-12-en-28-oat [German] [ACD/IUPAC Name]
(3β)-3-(β-D-Glucopyranuronosyloxy)olean-12-en-28-oate [ACD/IUPAC Name]
(3β)-3-(β-D-Glucopyranuronosyloxy)oléan-12-én-28-oate [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(β-D-glucopyranuronosyloxy)-, ion(2-), (3β)- [ACD/Index Name]
-D-glucuronoside
Monoglucuronide F
Oleanoic acid 3-O-glucuronide
oleanolate 3 &β
oleanolic acid 3 &β;-D-glucuronoside
oleanolic acid 3 β-D-glucuronoside
More...

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

Density:
Boiling Point: 750.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.9±6.0 kJ/mol
Flash Point: 228.6±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 9.88
ACD/KOC (pH 5.5): 15.94
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 159 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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