ChemSpider 2D Image | (3beta)-3-{[beta-D-Glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid | C47H76O17

(3β)-3-{[β-D-Glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID9717287

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(3β)-3-{[β-D-Glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[β-D-Glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[β-D-glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-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-, (3β)- [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: 1003.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.9±6.0 kJ/mol
Flash Point: 287.3±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 228.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 49.64
ACD/KOC (pH 5.5): 305.52
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.81
Polar Surface Area: 275 Å2
Polarizability: 90.5±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 654.8±5.0 cm3

Click to predict properties on the Chemicalize site


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