ChemSpider 2D Image | (7alpha,11beta,16alpha,17xi)-7-Chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate | C28H37ClO7

(7α,11β,16α,17ξ)-7-Chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate

  • Molecular FormulaC28H37ClO7
  • Average mass521.042 Da
  • Monoisotopic mass520.222778 Da
  • ChemSpider ID88301707
  • defined stereocentres - 7 of 9 defined stereocentres


More details:






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

(7α,11β,16α,17ξ)-7-Chlor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17,21-diyl-dipropanoat [German] [ACD/IUPAC Name]
(7α,11β,16α,17ξ)-7-Chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate [ACD/IUPAC Name]
Dipropanoate de (7α,11β,16α,17ξ)-7-chloro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-diène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 7-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (7α,11β,16α,17ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 636.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 732.83
ACD/KOC (pH 5.5): 3911.73
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 732.83
ACD/KOC (pH 7.4): 3911.73
Polar Surface Area: 107 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 411.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement