ChemSpider 2D Image | Gein | C21H30O11

Gein

  • Molecular FormulaC21H30O11
  • Average mass458.456 Da
  • Monoisotopic mass458.178802 Da
  • ChemSpider ID31014622
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

4-Allyl-2-methoxyphenyl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-Allyl-2-methoxyphenyl-6-O-α-L-arabinopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
585-90-0 [RN]
6-O-α-L-Arabinopyranosyl-β-D-glucopyranoside de 4-allyl-2-méthoxyphényle [French] [ACD/IUPAC Name]
Gein
β-D-Glucopyranoside, 2-methoxy-4-(2-propen-1-yl)phenyl 6-O-α-L-arabinopyranosyl- [ACD/Index Name]
Geoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 692.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.5±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.84
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.84
Polar Surface Area: 168 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 312.1±5.0 cm3

Click to predict properties on the Chemicalize site






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