ChemSpider 2D Image | allopregnane-3?,20?-diol diacetate | C25H40O4

allopregnane-3?,20?-diol diacetate

  • Molecular FormulaC25H40O4
  • Average mass404.583 Da
  • Monoisotopic mass404.292664 Da
  • ChemSpider ID32700463

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5α,20S)-Pregnan-3,20-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,5α,20S)-Pregnane-3,20-diyl diacetate [ACD/IUPAC Name]
6003-18-5 [RN]
allopregnane-3?,20?-diol diacetate
ALLOPREGNANE-3α,20α-DIOL DIACETATE
Diacétate de (3α,5α,20S)-prégnane-3,20-diyle [French] [ACD/IUPAC Name]
Pregnane-3,20-diol, diacetate, (3α,5α,20S)- [ACD/Index Name]
5-α-PREGNAN-3-α,20-α-DIOL DIACETATE

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

N0ZLS3RJX9 [DBID]
UNII:N0ZLS3RJX9 [DBID]
UNII-N0ZLS3RJX9 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 461.8±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 218.5±19.6 °C
Index of Refraction: 1.517
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22927.53
ACD/KOC (pH 5.5): 45996.97
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22927.53
ACD/KOC (pH 7.4): 45996.97
Polar Surface Area: 53 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 374.4±5.0 cm3

Click to predict properties on the Chemicalize site


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