ChemSpider 2D Image | (3alpha,8alpha,9beta,14beta,16alpha)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside | C47H68O15

(3α,8α,9β,14β,16α)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside

  • Molecular FormulaC47H68O15
  • Average mass873.034 Da
  • Monoisotopic mass872.455811 Da
  • ChemSpider ID117141

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3α,8α,9β,14β,16α)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3α,8α,9β,14β,16α)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl-2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-3-O-[2-O-(4-méthoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside de (3α,8α,9β,14β,16α)-3,17-dihydroxy-22-oxocholest-5-én-16-yle [French] [ACD/IUPAC Name]
Cholest-5-en-22-one, 16-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl]oxy]-3,17-dihydroxy-, (3α,8α,9β,14β,16α)- [ACD/Index Name]
145075-81-6 [RN]
3,16,17-Trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoylxylopyranosyl)-1-3-(2-O-acetylarabinopyranoside)
Cholest-5-en-22-one, 16-((2-O-acetyl-3-O-(2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl)-α-L-arabinopyranosyl)oxy)-3,17-dihydroxy-, (3β,16β)-
ethyl 2-(2-phenylacetamido)acetate
OSW 1
OSW-1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 932.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.1±3.0 kJ/mol
Flash Point: 267.0±27.8 °C
Index of Refraction: 1.592
Molar Refractivity: 223.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13144.97
ACD/KOC (pH 5.5): 30888.45
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13144.81
ACD/KOC (pH 7.4): 30888.08
Polar Surface Area: 217 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 661.5±5.0 cm3

Click to predict properties on the Chemicalize site


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