ChemSpider 2D Image | (10alpha,11beta)-11,17,20,21-Tetrahydroxy-8-methyl(2,4,6,6,9,11,12,12-~2~H_8_)-19-norpregna-1,4-dien-3-one | C21H22D8O5

(10α,11β)-11,17,20,21-Tetrahydroxy-8-methyl(2,4,6,6,9,11,12,12-2H8)-19-norpregna-1,4-dien-3-one

  • Molecular FormulaC21H22D8O5
  • Average mass370.509 Da
  • Monoisotopic mass370.259552 Da
  • ChemSpider ID107447104

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(10α,11β)-11,17,20,21-Tetrahydroxy-8-methyl(2,4,6,6,9,11,12,12-2H8)-19-norpregna-1,4-dien-3-on [German] [ACD/IUPAC Name]
(10α,11β)-11,17,20,21-Tetrahydroxy-8-methyl(2,4,6,6,9,11,12,12-2H8)-19-norpregna-1,4-dien-3-one [ACD/IUPAC Name]
(10α,11β)-11,17,20,21-Tétrahydroxy-8-méthyl(2,4,6,6,9,11,12,12-2H8)-19-norprégna-1,4-dién-3-one [French] [ACD/IUPAC Name]
Estra-1,4-dien-3-one-2,4,6,6,9,11,12,12-d8, 17-(1,2-dihydroxyethyl)-11,17-dihydroxy-8-methyl-, (10α,11β,17α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 325.3±26.6 °C
Index of Refraction: 1.620
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.15
ACD/KOC (pH 5.5): 96.45
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.15
ACD/KOC (pH 7.4): 96.45
Polar Surface Area: 98 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 275.8±5.0 cm3

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