ChemSpider 2D Image | 3-(Hexopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioic acid | C36H56O11

3-(Hexopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioic acid

  • Molecular FormulaC36H56O11
  • Average mass664.823 Da
  • Monoisotopic mass664.382263 Da
  • ChemSpider ID74886405

More details:

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

3-(Hexopyranosyloxy)-2-hydroxyolean-12-en-23,28-disäure [German] [ACD/IUPAC Name]
3-(Hexopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide 3-(hexopyranosyloxy)-2-hydroxyoléan-12-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-23,28-dioic acid, 3-(hexopyranosyloxy)-2-hydroxy- [ACD/Index Name]
2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid
2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Medicagenic acid 3-O-β-D-glucoside

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 815.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.0±6.0 kJ/mol
Flash Point: 249.9±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 4.92
ACD/KOC (pH 5.5): 23.64
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 490.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement