ChemSpider 2D Image | (20R)-4-pregnene-20,21-diol-3,11-dione | C21H30O4

(20R)-4-pregnene-20,21-diol-3,11-dione

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID34987224

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(20R)-20,21-Dihydroxypregn-4-en-3,11-dion [German] [ACD/IUPAC Name]
(20R)-20,21-Dihydroxypregn-4-ene-3,11-dione [ACD/IUPAC Name]
(20R)-20,21-Dihydroxyprégn-4-ène-3,11-dione [French] [ACD/IUPAC Name]
(20R)-4-pregnene-20,21-diol-3,11-dione
600-69-1 [RN]
Pregn-4-ene-3,11-dione, 20,21-dihydroxy-, (20R)- [ACD/Index Name]
116-56-3 [RN]
4-Pregnene-20,21-diol-3,11-dione
4-PREGNENE-20,21-DIOL-3,11-DIONE, (20R)-
UNII-LV2NX77P5A

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

7J3A0YK2NA [DBID]
UNII:7J3A0YK2NA [DBID]
UNII-7J3A0YK2NA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 300.6±25.2 °C
Index of Refraction: 1.576
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.26
ACD/KOC (pH 5.5): 157.72
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.26
ACD/KOC (pH 7.4): 157.72
Polar Surface Area: 75 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 284.3±5.0 cm3

Click to predict properties on the Chemicalize site


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