ChemSpider 2D Image | Bryonioside F | C36H58O9

Bryonioside F

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID9160273

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,4R,9β)-25-Hydroxy-9,10,14-trimethyl-11,24-dioxo-4,9-cyclo-9,10-secocholest-5-en-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β)-25-Hydroxy-9,10,14-trimethyl-11,24-dioxo-4,9-cyclo-9,10-secocholest-5-en-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Bryonioside F
Estr-5-en-11-one, 3-(β-D-glucopyranosyloxy)-17-[(1R)-5-hydroxy-1,5-dimethyl-4-oxohexyl]-4,4,9,14-tetramethyl-, (3β,9β,10α,17β)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,4R,9β)-25-hydroxy-9,10,14-triméthyl-11,24-dioxo-4,9-cyclo-9,10-sécocholest-5-én-1-yle [French] [ACD/IUPAC 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: 744.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 224.7±26.4 °C
Index of Refraction: 1.572
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 235.99
ACD/KOC (pH 5.5): 1738.29
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 235.99
ACD/KOC (pH 7.4): 1738.28
Polar Surface Area: 154 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 514.8±5.0 cm3

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