ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-deoxy-3-O-[2-O-(3,4-dimethoxybenzoyl)-beta-D-xylopyranosyl]-2-(methoxycarbonyl)-alpha-L-arabinopyranoside | C48H70O16

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

  • Molecular FormulaC48H70O16
  • Average mass903.060 Da
  • Monoisotopic mass902.466370 Da
  • ChemSpider ID8435635

  • defined stereocentres - 14 of 17 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,16β)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-deoxy-3-O-[2-O-(3,4-dimethoxybenzoyl)-β-D-xylopyranosyl]-2-(methoxycarbonyl)-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16β)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl-2-desoxy-3-O-[2-O-(3,4-dimethoxybenzoyl)-β-D-xylopyranosyl]-2-(methoxycarbonyl)-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-Désoxy-3-O-[2-O-(3,4-diméthoxybenzoyl)-β-D-xylopyranosyl]-2-(méthoxycarbonyl)-α-L-arabinopyranoside de (3β,8ξ,9ξ,14ξ,16β)-3,17-dihydroxy-22-oxocholest-5-én-16-yle [French] [ACD/IUPAC Name]
α-L-Arabinopyranoside, (3β,8ξ,9ξ,14ξ,16β)-3,17-dihydroxy-22-oxocholest-5-en-16-yl 2-deoxy-3-O-[2-O-(3,4-dimethoxybenzoyl)-β-D-xylopyranosyl]-2-(methoxycarbonyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 947.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.5±3.0 kJ/mol
Flash Point: 269.3±27.8 °C
Index of Refraction: 1.590
Molar Refractivity: 230.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25190.29
ACD/KOC (pH 5.5): 49202.59
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25190.02
ACD/KOC (pH 7.4): 49202.05
Polar Surface Area: 226 Å2
Polarizability: 91.3±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 682.8±5.0 cm3

Click to predict properties on the Chemicalize site


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