ChemSpider 2D Image | (20S)-20,21-Dihydroxypregna-4,6-diene-3,12-dione | C21H28O4

(20S)-20,21-Dihydroxypregna-4,6-diene-3,12-dione

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID23278367
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(20S)-20,21-Dihydroxypregna-4,6-dien-3,12-dion [German] [ACD/IUPAC Name]
(20S)-20,21-Dihydroxypregna-4,6-diene-3,12-dione [ACD/IUPAC Name]
(20S)-20,21-Dihydroxyprégna-4,6-diène-3,12-dione [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,12-dione, 20,21-dihydroxy-, (20S)- [ACD/Index Name]
[61671-56-5]
20S,21-dihydroxypregna-4,6-diene-3,12-dione
61671-56-5 [RN]
MFCD20274837
Neridienone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 311.4±26.6 °C
Index of Refraction: 1.592
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.33
ACD/KOC (pH 5.5): 82.25
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 82.25
Polar Surface Area: 75 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 277.6±5.0 cm3

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