ChemSpider 2D Image | (3S,5S,10S)-10,25-Dihydroxy-4,4,14-trimethyl-16,23-dioxo-9,19-cyclo-9,10-secocholest-9(11)-en-3-yl alpha-L-arabinopyranoside | C35H56O9

(3S,5S,10S)-10,25-Dihydroxy-4,4,14-trimethyl-16,23-dioxo-9,19-cyclo-9,10-secocholest-9(11)-en-3-yl α-L-arabinopyranoside

  • Molecular FormulaC35H56O9
  • Average mass620.814 Da
  • Monoisotopic mass620.392456 Da
  • ChemSpider ID17267391

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3S,5S,10S)-10,25-Dihydroxy-4,4,14-trimethyl-16,23-dioxo-9,19-cyclo-9,10-secocholest-9(11)-en-3-yl α-L-arabinopyranoside [ACD/IUPAC Name]
(3S,5S,10S)-10,25-Dihydroxy-4,4,14-trimethyl-16,23-dioxo-9,19-cyclo-9,10-secocholest-9(11)-en-3-yl-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
Benzo[4,5]cyclohept[1,2-e]inden-2(1H)-one, 9-(α-L-arabinopyranosyloxy)-3,3a,4,6,6a,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-6a-hydroxy-3-[(1R)-5-hydroxy-1,5-dimethyl-3-oxohexyl]-3a,10,10,12b-tetr amethyl-, (3R,3aR,6aS,9S,10aS,12aR,12bS)- [ACD/Index Name]
α-L-Arabinopyranoside de (3S,5S,10S)-10,25-dihydroxy-4,4,14-triméthyl-16,23-dioxo-9,19-cyclo-9,10-sécocholest-9(11)-én-3-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: 750.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 228.9±26.4 °C
Index of Refraction: 1.576
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 276.92
ACD/KOC (pH 5.5): 1949.14
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 276.92
ACD/KOC (pH 7.4): 1949.13
Polar Surface Area: 154 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 498.2±5.0 cm3

Click to predict properties on the Chemicalize site


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