ChemSpider 2D Image | (3alpha,5beta,11alpha,20S)-Pregnane-3,11,17,20-tetrol | C21H36O4

(3α,5β,11α,20S)-Pregnane-3,11,17,20-tetrol

  • Molecular FormulaC21H36O4
  • Average mass352.508 Da
  • Monoisotopic mass352.261353 Da
  • ChemSpider ID29367560

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,5β,11α,20S)-Pregnan-3,11,17,20-tetrol [German] [ACD/IUPAC Name]
(3α,5β,11α,20S)-Pregnane-3,11,17,20-tetrol [ACD/IUPAC Name]
(3α,5β,11α,20S)-Prégnane-3,11,17,20-tétrol [French] [ACD/IUPAC Name]
Pregnane-3,11,17,20-tetrol, (3α,5β,11α,20S)- [ACD/Index Name]
(3R,5R,8S,9S,10S,11R,13S,14S,17R)-17-((S)-1-Hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
1242-48-4 [RN]
5??-Pregnan-3??,11??,17,20??-tetrol
5-β-PREGNAN-3-α, 11-α, 17,20-α-TETROL
5-β-PREGNAN-3-α,11-α,17,20-α-TETROL
5β-Pregnan-3α,11β,17,20α-tetrol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 227.5±23.3 °C
Index of Refraction: 1.569
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.76
ACD/KOC (pH 5.5): 215.36
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.76
ACD/KOC (pH 7.4): 215.36
Polar Surface Area: 81 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 296.6±3.0 cm3

Click to predict properties on the Chemicalize site


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