ChemSpider 2D Image | 1-O-[(3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha)-3-(beta-L-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-L-glucopyranose | C42H66O14

1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-(β-L-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-β-L-glucopyranose

  • Molecular FormulaC42H66O14
  • Average mass794.965 Da
  • Monoisotopic mass794.445251 Da
  • ChemSpider ID82964540

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-(β-L-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-β-L-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-(β-L-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-β-L-glucopyranose [ACD/IUPAC Name]
1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-(β-L-Glucopyranuronosyloxy)-28-oxooléan-12-én-28-yl]-β-L-glucopyranose [French] [ACD/IUPAC Name]
β-L-Glucopyranose, 1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-(β-L-glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 873.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.2±6.0 kJ/mol
Flash Point: 255.6±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 201.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 7.79
ACD/KOC (pH 5.5): 23.96
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.05
Polar Surface Area: 233 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 579.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement