ChemSpider 2D Image | 4-Pregnene-17α,20β,21-triol-3-one 20,21-diacetate | C25H36O6

4-Pregnene-17α,20β,21-triol-3-one 20,21-diacetate

  • Molecular FormulaC25H36O6
  • Average mass432.550 Da
  • Monoisotopic mass432.251190 Da
  • ChemSpider ID32697843

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(20R)-17,20,21-trihydroxypregn-4-en-3-one 20,21-diacetate
(20R)-17-Hydroxy-3-oxopregn-4-en-20,21-diyl-diacetat [German] [ACD/IUPAC Name]
(20R)-17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate [ACD/IUPAC Name]
4-Pregnene-17α,20β,21-triol-3-one 20,21-diacetate
4-Pregnene-17α,20β,21-triol-3-one 20,21-diacetate
6424-28-8 [RN]
Diacétate de (20R)-17-hydroxy-3-oxoprégn-4-ène-20,21-diyle [French] [ACD/IUPAC Name]
Pregn-4-en-3-one, 20,21-bis(acetyloxy)-17-hydroxy-, (20R)- [ACD/Index Name]
17,20,21-TRIHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (20R)-

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

5HY6X3Q0T9 [DBID]
UNII:5HY6X3Q0T9 [DBID]
UNII-5HY6X3Q0T9 [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: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 178.3±23.6 °C
Index of Refraction: 1.549
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.48
ACD/KOC (pH 5.5): 1855.31
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.48
ACD/KOC (pH 7.4): 1855.31
Polar Surface Area: 90 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

Click to predict properties on the Chemicalize site


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