ChemSpider 2D Image | 1-O-[(3beta)-30-Methoxy-3-{[3-O-(6-methyl-beta-D-glucopyranuronosyl)-beta-D-lyxopyranosyl]oxy}-28,30-dioxoolean-12-en-28-yl]-beta-D-glucopyranose | C49H76O20

1-O-[(3β)-30-Methoxy-3-{[3-O-(6-methyl-β-D-glucopyranuronosyl)-β-D-lyxopyranosyl]oxy}-28,30-dioxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC49H76O20
  • Average mass985.116 Da
  • Monoisotopic mass984.492981 Da
  • ChemSpider ID8899984

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

1-O-[(3β)-30-Methoxy-3-{[3-O-(6-methyl-β-D-glucopyranuronosyl)-β-D-lyxopyranosyl]oxy}-28,30-dioxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-30-Methoxy-3-{[3-O-(6-methyl-β-D-glucopyranuronosyl)-β-D-lyxopyranosyl]oxy}-28,30-dioxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-30-Méthoxy-3-{[3-O-(6-méthyl-β-D-glucopyranuronosyl)-β-D-lyxopyranosyl]oxy}-28,30-dioxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β)-30-methoxy-3-[[3-O-(6-methyl-β-D-glucopyranuronosyl)-β-D-lyxopyranosyl]oxy]-28,30-dioxoolean-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: 988.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.4±6.0 kJ/mol
Flash Point: 277.3±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 240.0±0.4 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11510.44
ACD/KOC (pH 5.5): 28069.89
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11510.36
ACD/KOC (pH 7.4): 28069.68
Polar Surface Area: 307 Å2
Polarizability: 95.2±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 691.7±5.0 cm3

Click to predict properties on the Chemicalize site


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