ChemSpider 2D Image | (3beta)-3-(alpha-L-Arabinofuranosyloxy)-20-oxopregna-4,6-dien-17-yl acetate | C28H40O8

(3β)-3-(α-L-Arabinofuranosyloxy)-20-oxopregna-4,6-dien-17-yl acetate

  • Molecular FormulaC28H40O8
  • Average mass504.612 Da
  • Monoisotopic mass504.272308 Da
  • ChemSpider ID115932
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3β)-17-(Acetyloxy)-3-(α-L-arabinofuranosyloxy)pregna-4,6-dien-20-one
(3β)-3-(α-L-Arabinofuranosyloxy)-20-oxopregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
(3β)-3-(α-L-Arabinofuranosyloxy)-20-oxopregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-3-(α-L-arabinofuranosyloxy)-20-oxoprégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-dien-20-one, 17-(acetyloxy)-3-(α-L-arabinofuranosyloxy)-, (3β)- [ACD/Index Name]
129990-43-8 [RN]
17-(Acetyloxy)-3-(α-L-arabinofuranosyloxy)pregna-4,6-dien-20-one (3β)-
17-Acetoxy-6-chloropregna-4,6-diene-20-one-3-O-α-arabinofuranoside
CAAF
Chlormadinol acetate-3-O-α-arabinofuranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 216.8±25.0 °C
Index of Refraction: 1.588
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.60
ACD/KOC (pH 5.5): 882.98
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.60
ACD/KOC (pH 7.4): 882.97
Polar Surface Area: 123 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 389.2±5.0 cm3

Click to predict properties on the Chemicalize site






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