ChemSpider 2D Image | (3beta,22S)-3,17-Dihydroxy-6-methoxy-16-oxocholest-5-en-22-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside | C48H70O16

(3β,22S)-3,17-Dihydroxy-6-methoxy-16-oxocholest-5-en-22-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside

  • Molecular FormulaC48H70O16
  • Average mass903.060 Da
  • Monoisotopic mass902.466370 Da
  • ChemSpider ID23285404

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,22S)-3,17-Dihydroxy-6-methoxy-16-oxocholest-5-en-22-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,22S)-3,17-Dihydroxy-6-methoxy-16-oxocholest-5-en-22-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 (3β,22S)-3,17-dihydroxy-6-méthoxy-16-oxocholest-5-én-22-yle [French] [ACD/IUPAC Name]
Cholest-5-en-16-one, 22-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl]oxy]-3,17-dihydroxy-6-methoxy-, (3β,22S)- [ACD/Index Name]
(2S,3R,4S,5R)-2-{[(2S,3R,4S,5S)-3-(acetyloxy)-2-{[(2R,3S)-2-[(1S,2R,5S,10R,11S,14S,15S)-5,14-dihydroxy-8-methoxy-2,15-dimethyl-13-oxotetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-yl]-6-methylheptan-3-yl]oxy}-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl 4-methoxybenzoate
(2S,3R,4S,5R)-2-{[(2S,3R,4S,5S)-3-(acetyloxy)-2-{[(2R,3S)-2-[(1S,2R,5S,10R,11S,14S,15S)-5,14-dihydroxy-8-methoxy-2,15-dimethyl-13-oxotetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-yl]-6-methylheptan-3-yl]oxy}-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl 4-methoxybenzoateNA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 959.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.4±3.0 kJ/mol
Flash Point: 273.3±27.8 °C
Index of Refraction: 1.589
Molar Refractivity: 230.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9528.25
ACD/KOC (pH 5.5): 24533.93
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9528.06
ACD/KOC (pH 7.4): 24533.45
Polar Surface Area: 226 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 683.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement