ChemSpider 2D Image | (3beta,16beta,25R)-3,26-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-4-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-beta-D-xylopyranoside | C47H68O15

(3β,16β,25R)-3,26-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-4-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-β-D-xylopyranoside

  • Molecular FormulaC47H68O15
  • Average mass873.034 Da
  • Monoisotopic mass872.455811 Da
  • ChemSpider ID25052221

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,16β,25R)-3,26-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-4-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,16β,25R)-3,26-Dihydroxy-22-oxocholest-5-en-16-yl-2-O-acetyl-4-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-4-O-[2-O-(4-méthoxybenzoyl)-β-D-xylopyranosyl]-β-D-xylopyranoside de (3β,16β,25R)-3,26-dihydroxy-22-oxocholest-5-én-16-yle [French] [ACD/IUPAC Name]
Cholest-5-en-22-one, 16-[[2-O-acetyl-4-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-β-D-xylopyranosyl]oxy]-3,26-dihydroxy-, (3β,16β,25R)- [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: 950.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.0±3.0 kJ/mol
Flash Point: 273.1±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: 16
#Rule of 5 Violations: 4
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5171.42
ACD/KOC (pH 5.5): 15841.44
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5171.35
ACD/KOC (pH 7.4): 15841.24
Polar Surface Area: 217 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 661.7±5.0 cm3

Click to predict properties on the Chemicalize site


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