ChemSpider 2D Image | 18-Hydroxycortisol | C21H30O6

18-Hydroxycortisol

  • Molecular FormulaC21H30O6
  • Average mass378.459 Da
  • Monoisotopic mass378.204254 Da
  • ChemSpider ID24840620
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(11β,17α)-11,17,18,21-Tetrahydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(11β,17α)-11,17,18,21-Tetrahydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(11β,17α)-11,17,18,21-Tétrahydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
18-Hydroxycortisol
Pregn-4-ene-3,20-dione, 11,17,18,21-tetrahydroxy-, (11β,17α)- [ACD/Index Name]
(1S,2R,10S,11S,14S,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
(1S,2R,10S,11S,14S,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
11,17,18,21-tetrahydroxy-pregn-4-ene-3,20-dione
86002-90-6 [RN]
http://www.hmdb.ca/metabolites/HMDB0000418

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.8±6.0 kJ/mol
Flash Point: 340.3±28.0 °C
Index of Refraction: 1.614
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 46.95
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 46.95
Polar Surface Area: 115 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

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