ChemSpider 2D Image | (9xi)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione | C21H26O6

(9ξ)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H26O6
  • Average mass374.427 Da
  • Monoisotopic mass374.172943 Da
  • ChemSpider ID24540989

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(9ξ)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(9ξ)-16,17,21-Trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(9ξ)-16,17,21-Trihydroxy-9,11-époxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-16,17,21-trihydroxy-, (9ξ)- [ACD/Index Name]
(5S,6S,9S,10S,18S)-6,7-dihydroxy-6-(2-hydroxyacetyl)-5,18-dimethyl-2-oxapentacyclo[8.8.0.0<1,3>.0<5,9>.0<13,18>]octadeca-13,16-dien-15-one
9,11b-Epoxidetriamcinolone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 585.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.4±6.0 kJ/mol
Flash Point: 208.2±23.6 °C
Index of Refraction: 1.646
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.24
ACD/KOC (pH 5.5): 62.04
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 62.04
Polar Surface Area: 107 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 262.4±5.0 cm3

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