Found 1 result

Search term: CC(=O)[C@@H]1CC[C@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O[H])O[H])C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2beta,3beta,5beta,14beta,17alpha)-2,3-Dihydroxypregn-7-ene-6,20-dione | C21H30O4

(2β,3β,5β,14β,17α)-2,3-Dihydroxypregn-7-ene-6,20-dione

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID113385460

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2β,3β,5β,14β,17α)-2,3-Dihydroxypregn-7-en-6,20-dion [German] [ACD/IUPAC Name]
(2β,3β,5β,14β,17α)-2,3-Dihydroxypregn-7-ene-6,20-dione [ACD/IUPAC Name]
(2β,3β,5β,14β,17α)-2,3-Dihydroxyprégn-7-ène-6,20-dione [French] [ACD/IUPAC Name]
Pregn-7-ene-6,20-dione, 2,3-dihydroxy-, (2β,3β,5β,14β,17α)- [ACD/Index Name]
14β,17α-14-Deoxypoststerone
2β,3β-dihydroxy-5β,14β-pregn-7-ene-6,20-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.6±6.0 kJ/mol
Flash Point: 275.1±26.6 °C
Index of Refraction: 1.574
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.86
ACD/KOC (pH 5.5): 204.44
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.86
ACD/KOC (pH 7.4): 204.44
Polar Surface Area: 75 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 284.9±5.0 cm3

Click to predict properties on the Chemicalize site


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