ChemSpider 2D Image | (3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl (4xi)-2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-D-ribopyranosyl]-alpha-L-threo-pentopyranoside | C47H68O15

(3β,16β)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl (4ξ)-2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-D-ribopyranosyl]-α-L-threo-pentopyranoside

  • Molecular FormulaC47H68O15
  • Average mass873.034 Da
  • Monoisotopic mass872.455811 Da
  • ChemSpider ID28284767

  • defined stereocentres - 15 of 17 defined stereocentres

More details:

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(3β,16β)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl (4ξ)-2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-D-ribopyranosyl]-α-L-threo-pentopyranoside [ACD/IUPAC Name]
(3β,16β)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl-(4ξ)-2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-D-ribopyranosyl]-α-L-threo-pentopyranosid [German] [ACD/IUPAC Name]
(4ξ)-2-O-Acétyl-3-O-[2-O-(4-méthoxybenzoyl)-D-ribopyranosyl]-α-L-thréo-pentopyranoside de (3β,16β)-3,17-dihydroxy-22-oxocholest-5-én-16-yle [French] [ACD/IUPAC Name]
Cholest-5-en-22-one, 16-[[(4ξ)-2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-D-ribopyranosyl]-α-L-threo-pentopyranosyl]oxy]-3,17-dihydroxy-, (3β,16β)- [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: 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

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