ChemSpider 2D Image | granulatoside E | C35H62O10

granulatoside E

  • Molecular FormulaC35H62O10
  • Average mass642.861 Da
  • Monoisotopic mass642.434326 Da
  • ChemSpider ID76826955

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,5α,6β,15α,16β,24R)-6,8,15,16,29-Pentahydroxystigmastan-3-yl 2-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5α,6β,15α,16β,24R)-6,8,15,16,29-Pentahydroxystigmastan-3-yl-2-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-Méthyl-β-D-xylopyranoside de (3β,5α,6β,15α,16β,24R)-6,8,15,16,29-pentahydroxystigmastan-3-yle [French] [ACD/IUPAC Name]
granulatoside E
β-D-Xylopyranoside, (3β,5α,6β,15α,16β,24R)-6,8,15,16,29-pentahydroxystigmastan-3-yl 2-O-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 755.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 410.6±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.46
ACD/KOC (pH 5.5): 500.66
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.46
ACD/KOC (pH 7.4): 500.66
Polar Surface Area: 169 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 514.6±5.0 cm3

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