ChemSpider 2D Image | allopregnane-3?,20?-diol | C21H36O2

allopregnane-3?,20?-diol

  • Molecular FormulaC21H36O2
  • Average mass320.509 Da
  • Monoisotopic mass320.271515 Da
  • ChemSpider ID18838221

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5α,20R)-Pregnan-3,20-diol [German] [ACD/IUPAC Name]
(3α,5α,20R)-Pregnane-3,20-diol [ACD/IUPAC Name]
(3α,5α,20R)-Prégnane-3,20-diol [French] [ACD/IUPAC Name]
566-57-4 [RN]
5-α-PREGNAN-3-α, 20-β-DIOL
allopregnane-3?,20?-diol
Allopregnane-3α,20β-diol
Pregnane-3,20-diol, (3α,5α,20R)- [ACD/Index Name]
(3R,5S,8R,9S,10S,13S,14S,17S)-17-((R)-1-Hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
5-α-PREGNAN-3-α, 20-β-DIOL
More...

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

5W3FD26217 [DBID]
UNII:5W3FD26217 [DBID]
UNII-5W3FD26217 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 191.0±15.8 °C
Index of Refraction: 1.531
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 889.66
ACD/KOC (pH 5.5): 4494.21
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 889.66
ACD/KOC (pH 7.4): 4494.21
Polar Surface Area: 40 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 304.2±3.0 cm3

Click to predict properties on the Chemicalize site


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