ChemSpider 2D Image | (9beta,11beta)-17,21-Dihydroxy-16-methylene-9,11-epoxypregna-1,4-diene-3,20-dione | C22H26O5

(9β,11β)-17,21-Dihydroxy-16-methylene-9,11-epoxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H26O5
  • Average mass370.439 Da
  • Monoisotopic mass370.178009 Da
  • ChemSpider ID28536314

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(9β,11β)-17,21-Dihydroxy-16-methylen-9,11-epoxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(9β,11β)-17,21-Dihydroxy-16-methylene-9,11-epoxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(9β,11β)-17,21-Dihydroxy-16-méthylène-9,11-époxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-16-methylene-, (9β,11β)- [ACD/Index Name]
(4aS,4bS,5aS,6aS,7R,9aS,9bS)-7-Hydroxy-7-(2-hydroxyacetyl)-4a,6a-Dimethyl-8-methylene-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one
9β,11β-Epoxy-17α,21-dihydroxy-16β-methylene-pregna-1,4-diene-3,20-dione
MFCD09038712 [MDL number]
MFCD23135276 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 203.0±23.6 °C
Index of Refraction: 1.628
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.10
ACD/KOC (pH 5.5): 242.92
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.10
ACD/KOC (pH 7.4): 242.91
Polar Surface Area: 87 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 275.7±5.0 cm3

Click to predict properties on the Chemicalize site


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