ChemSpider 2D Image | (3beta,12beta,14beta,17alpha,20S)-20-Acetoxy-3,8,14,17-tetrahydroxypregn-5-ene-12,19-diyl dibenzoate | C37H44O10

(3β,12β,14β,17α,20S)-20-Acetoxy-3,8,14,17-tetrahydroxypregn-5-ene-12,19-diyl dibenzoate

  • Molecular FormulaC37H44O10
  • Average mass648.739 Da
  • Monoisotopic mass648.293457 Da
  • ChemSpider ID9181980

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,12β,14β,17α,20S)-20-Acetoxy-3,8,14,17-tetrahydroxypregn-5-en-12,19-diyl-dibenzoat [German] [ACD/IUPAC Name]
(3β,12β,14β,17α,20S)-20-Acetoxy-3,8,14,17-tetrahydroxypregn-5-ene-12,19-diyl dibenzoate [ACD/IUPAC Name]
Dibenzoate de (3β,12β,14β,17α,20S)-20-acétoxy-3,8,14,17-tétrahydroxyprégn-5-ène-12,19-diyle [French] [ACD/IUPAC Name]
Pregn-5-ene-3,8,12,14,17,19,20-heptol, 20-acetate 12,19-dibenzoate, (3β,12β,14β,17α,20S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 230.7±26.4 °C
Index of Refraction: 1.637
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3595.87
ACD/KOC (pH 5.5): 12213.47
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3595.85
ACD/KOC (pH 7.4): 12213.38
Polar Surface Area: 160 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 475.0±5.0 cm3

Click to predict properties on the Chemicalize site


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