ChemSpider 2D Image | (3beta,12beta,14beta)-8,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl -beta-D-ribo-hexopyranoside | C42H68O14

(3β,12β,14β)-8,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl -β-D-ribo-hexopyranoside

  • Molecular FormulaC42H68O14
  • Average mass796.981 Da
  • Monoisotopic mass796.460938 Da
  • ChemSpider ID8852136

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β,12β,14β)-8,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl -β-D-ribo-hexopyranoside [ACD/IUPAC Name]
(3β,12β,14β)-8,12,14-Trihydroxy-20-oxopregn-5-en-3-yl-2,6-didesoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-3-O-met hyl-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-3-O-méthyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranoside de (3β,12β,14β)-8,12,14
 -trihydroxy-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-[[O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy]-8,12 ,14-trihydroxy-, (3β,12β,14β)- [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: 835.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.0±6.0 kJ/mol
Flash Point: 241.8±27.8 °C
Index of Refraction: 1.566
Molar Refractivity: 203.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 91.87
ACD/KOC (pH 5.5): 884.80
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 91.87
ACD/KOC (pH 7.4): 884.80
Polar Surface Area: 181 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 623.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement