ChemSpider 2D Image | Methyl (3beta)-3-{[beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oate | C48H78O17

Methyl (3β)-3-{[β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oate

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID8852624

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(3β)-3-{[β-D-Glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β)-3-{[β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oate [ACD/IUPAC Name]
Methyl-(3β)-3-{[β-D-glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->;2)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, methyl ester, (3β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL506919/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 975.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.2±6.0 kJ/mol
Flash Point: 276.3±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 233.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2954.96
ACD/KOC (pH 5.5): 10605.67
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2954.95
ACD/KOC (pH 7.4): 10605.62
Polar Surface Area: 264 Å2
Polarizability: 92.5±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 676.7±5.0 cm3

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