ChemSpider 2D Image | (6beta,8xi,9xi,12alpha,13alpha,14beta,20R)-3,6,12-Trihydroxy-4,4,14,17-tetramethyl-18-norcholest-24-en-20-yl beta-D-allopyranoside | C36H62O9

(6β,8ξ,9ξ,12α,13α,14β,20R)-3,6,12-Trihydroxy-4,4,14,17-tetramethyl-18-norcholest-24-en-20-yl β-D-allopyranoside

  • Molecular FormulaC36H62O9
  • Average mass638.872 Da
  • Monoisotopic mass638.439392 Da
  • ChemSpider ID142877

  • defined stereocentres - 12 of 16 defined stereocentres

More details:

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

(6β,8ξ,9ξ,12α,13α,14β,20R)-3,6,12-Trihydroxy-4,4,14,17-tetramethyl-18-norcholest-24-en-20-yl β-D-allopyranoside [ACD/IUPAC Name]
(6β,8ξ,9ξ,12α,13α,14β,20R)-3,6,12-Trihydroxy-4,4,14,17-tetramethyl-18-norcholest-24-en-20-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (6β,8ξ,9ξ,12α,13α,14β,20R)-3,6,12-trihydroxy-4,4,14,17-tétraméthyl-18-norcholest-24-én-20-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (1R)-1,5-dimethyl-1-[(6β,8ξ,9ξ,12α,13α,14β,17β)-3,6,12-trihydroxy-4,4,10,14,17-pentamethylgonan-17-yl]-4-hexen-1-yl [ACD/Index Name]
53963-43-2 [RN]
Ginsenoside F1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 409.1±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.29
ACD/KOC (pH 5.5): 1562.26
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.29
ACD/KOC (pH 7.4): 1562.25
Polar Surface Area: 160 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 516.9±5.0 cm3

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