ChemSpider 2D Image | (3beta)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]lup-20(29)-en-28-yl beta-D-glucopyranoside | C42H70O11

(3β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]lup-20(29)-en-28-yl β-D-glucopyranoside

  • Molecular FormulaC42H70O11
  • Average mass750.999 Da
  • Monoisotopic mass750.491821 Da
  • ChemSpider ID24687178

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]lup-20(29)-en-28-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-3-[(6-Desoxy-α-L-mannopyranosyl)oxy]lup-20(29)-en-28-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β)-3-[(6-désoxy-α-L-mannopyranosyl)oxy]lup-20(29)-én-28-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]lup-20(29)-en-28-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 814.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.8±6.0 kJ/mol
Flash Point: 446.3±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 199.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8171.03
ACD/KOC (pH 5.5): 21978.50
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8170.94
ACD/KOC (pH 7.4): 21978.26
Polar Surface Area: 179 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 591.5±5.0 cm3

Click to predict properties on the Chemicalize site


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