ChemSpider 2D Image | soyasapogenol B 3-O-beta-glucuronate | C36H57O9

soyasapogenol B 3-O-β-glucuronate

  • Molecular FormulaC36H57O9
  • Average mass633.833 Da
  • Monoisotopic mass633.400818 Da
  • ChemSpider ID26332710

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,22β)-22,24-Dihydroxyolean-12-en-3-yl β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,22β)-22,24-Dihydroxyolean-12-en-3-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
soyasapogenol B 3-O-β-glucuronate
β-D-Glucopyranosiduronic acid, (3β,22β)-22,24-dihydroxyolean-12-en-3-yl, ion(1-) [ACD/Index Name]
-Glucuronide
soyasapogenol B 3-O-β-D-glucuronate
soyasapogenol B 3-O-β-glucuronide(1-)
soyasapogenol B-3-&lt;i>O</i>-&β
β-D-Glucopyranosiduronate de (3β,22β)-22,24-dihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]

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

CHEBI:62441 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that results from the removal of a proton from the carboxy group of soyasapogenol B 3-O-beta-glucuronide. ChEBI CHEBI:62441

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

Density:
Boiling Point: 751.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.0±6.0 kJ/mol
Flash Point: 228.2±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 7.70
ACD/KOC (pH 5.5): 23.78
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 160 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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