ChemSpider 2D Image | (11alpha,13xi)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate | C21H29O8P

(11α,13ξ)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate

  • Molecular FormulaC21H29O8P
  • Average mass440.424 Da
  • Monoisotopic mass440.160004 Da
  • ChemSpider ID107441240

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(11α,13ξ)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate [ACD/IUPAC Name]
(11α,13ξ)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (11α,13ξ)-11,17-dihydroxy-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, (11α,13ξ)- [ACD/Index Name]
302-25-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 361.9±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -3.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 303.4±5.0 cm3

Click to predict properties on the Chemicalize site


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