ChemSpider 2D Image | 1-O-[(2beta,3beta)-3-{[3-O-(beta-D-Glucopyranuronosyl)-beta-D-galactopyranosyl]oxy}-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C48H76O21

1-O-[(2β,3β)-3-{[3-O-(β-D-Glucopyranuronosyl)-β-D-galactopyranosyl]oxy}-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC48H76O21
  • Average mass989.104 Da
  • Monoisotopic mass988.487915 Da
  • ChemSpider ID9695680

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

1-O-[(2β,3β)-3-{[3-O-(β-D-Glucopyranuronosyl)-β-D-galactopyranosyl]oxy}-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2β,3β)-3-{[3-O-(β-D-Glucopyranuronosyl)-β-D-galactopyranosyl]oxy}-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2β,3β)-3-{[3-O-(β-D-Glucopyranuronosyl)-β-D-galactopyranosyl]oxy}-2,23-dihydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2β,3β)-3-[(3-O-β-D-glucopyranuronosyl-β-D-galactopyranosyl)oxy]-2,23-dihydroxy-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: 1.5±0.1 g/cm3
Boiling Point: 1084.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 180.1±6.0 kJ/mol
Flash Point: 308.7±27.8 °C
Index of Refraction: 1.644
Molar Refractivity: 237.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 353 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 657.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement