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

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

  • Molecular FormulaC48H70O16
  • Average mass903.060 Da
  • Monoisotopic mass902.466370 Da
  • ChemSpider ID57641773
  • defined stereocentres - 17 of 17 defined stereocentres


More details:






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

(3β,16β)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(3,4-dimethoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,16β)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl-2-O-acetyl-3-O-[2-O-(3,4-dimethoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-3-O-[2-O-(3,4-diméthoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside de (3β,16β)-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-(3,4-dimethoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl]oxy]-3,17-dihydroxy-, (3β,16β)- [ACD/Index Name]
145075-82-7 [RN]
3[β],16[β],17[α]-trihydroxy-cholest-5-en-22-one 16-O-(2-O-3,4-dimethoxybenzoyl-[β]-d-xylopyranosyl)-(1[to]3)-(2-O-acetyl-[α]-l-arabinopyranoside)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 946.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.3±3.0 kJ/mol
Flash Point: 268.9±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: 7.77
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14613.49
ACD/KOC (pH 5.5): 33321.03
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14613.31
ACD/KOC (pH 7.4): 33320.63
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

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