ChemSpider 2D Image | 11,17,20,21-Tetrahydroxy-18,20-epoxypregn-4-en-3-one | C21H30O6

11,17,20,21-Tetrahydroxy-18,20-epoxypregn-4-en-3-one

  • Molecular FormulaC21H30O6
  • Average mass378.459 Da
  • Monoisotopic mass378.204254 Da
  • ChemSpider ID21428952

More details:

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

11,17,20,21-Tetrahydroxy-18,20-epoxypregn-4-en-3-on [German] [ACD/IUPAC Name]
11,17,20,21-Tetrahydroxy-18,20-epoxypregn-4-en-3-one [ACD/IUPAC Name]
11,17,20,21-Tétrahydroxy-18,20-époxyprégn-4-én-3-one [French] [ACD/IUPAC Name]
3,3a,12-Trihydroxy-3-(hydroxymethyl)-11a-methyl-3,3a,4,5,5a,5b,6,7,10,11,11a,11b,12,13-tetradecahydro-9H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-on
3,3a,12-Trihydroxy-3-(hydroxymethyl)-11a-methyl-3,3a,4,5,5a,5b,6,7,10,11,11a,11b,12,13-tetradecahydro-9H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-one
3,3a,12-Trihydroxy-3-(hydroxyméthyl)-11a-méthyl-3,3a,4,5,5a,5b,6,7,10,11,11a,11b,12,13-tétradécahydro-9H-naphto[2',1':4,5]indéno[1,7a-c]furan-9-one
Pregn-4-en-3-one, 18,20-epoxy-11,17,20,21-tetrahydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 214.3±25.0 °C
Index of Refraction: 1.637
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.77
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.76
Polar Surface Area: 107 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 269.5±5.0 cm3

Click to predict properties on the Chemicalize site


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