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Search term: ZCFUAGVJMSGCHS-IUCOLISPSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (17xi)-20,21-Dihydroxypregn-4-en-3-one | C21H32O3

(17ξ)-20,21-Dihydroxypregn-4-en-3-one

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID58829853
  • defined stereocentres - 5 of 7 defined stereocentres


More details:






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

(17ξ)-20,21-Dihydroxypregn-4-en-3-on [German] [ACD/IUPAC Name]
(17ξ)-20,21-Dihydroxypregn-4-en-3-one [ACD/IUPAC Name]
(17ξ)-20,21-Dihydroxyprégn-4-én-3-one [French] [ACD/IUPAC Name]
Pregn-4-en-3-one, 20,21-dihydroxy-, (17ξ)- [ACD/Index Name]
20-dihydro DOC
4-pregnen-20,21-diol-3-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.6±6.0 kJ/mol
Flash Point: 275.0±19.1 °C
Index of Refraction: 1.567
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.78
ACD/KOC (pH 5.5): 726.73
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.78
ACD/KOC (pH 7.4): 726.73
Polar Surface Area: 58 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 287.4±5.0 cm3

Click to predict properties on the Chemicalize site






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