ChemSpider 2D Image | Allopregnane-3alpha,11beta,17alpha,21-tetrol-20-one 3,21-diacetate | C25H38O7

Allopregnane-3α,11β,17α,21-tetrol-20-one 3,21-diacetate

  • Molecular FormulaC25H38O7
  • Average mass450.565 Da
  • Monoisotopic mass450.261749 Da
  • ChemSpider ID21492131

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Allopregnane-3α,11β,17α,21-tetrol-20-one 3,21-diacetate
(3α,5α,11β)-11,17-Dihydroxy-20-oxopregnan-3,21-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,5α,11β)-11,17-Dihydroxy-20-oxopregnane-3,21-diyl diacetate [ACD/IUPAC Name]
4004-70-0 [RN]
allopregnane-3?,11?,17?,21-tetrol-20-one 3,21-diacetate
Diacétate de (3α,5α,11β)-11,17-dihydroxy-20-oxoprégnane-3,21-diyle [French] [ACD/IUPAC Name]
Pregnan-20-one, 3,21-bis(acetyloxy)-11,17-dihydroxy-, (3α,5α,11β)- [ACD/Index Name]
5??-Pregnan-3??,11??,17,21-tetrol-20-one 3,21-diacetate
5-α-PREGNAN-3-α, 11-β, 17,21-TETROL-20-ONE 3,21-DIACETATE
5-α-PREGNANE-3-α,11-β,17-α,21-TETROL-20-ONE 3,21-DIACETATE
More...

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

47150L7IUL [DBID]
UNII:47150L7IUL [DBID]
UNII-47150L7IUL [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: 563.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 183.2±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 254.48
ACD/KOC (pH 5.5): 1834.74
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 254.48
ACD/KOC (pH 7.4): 1834.72
Polar Surface Area: 110 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 365.5±5.0 cm3

Click to predict properties on the Chemicalize site


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