ChemSpider 2D Image | (13alpha)-3,20-Dioxopregn-4-en-17-yl hexanoate | C27H40O4

(13α)-3,20-Dioxopregn-4-en-17-yl hexanoate

  • Molecular FormulaC27H40O4
  • Average mass428.604 Da
  • Monoisotopic mass428.292664 Da
  • ChemSpider ID32697288

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(13α)-3,20-Dioxopregn-4-en-17-yl hexanoate [ACD/IUPAC Name]
(13α)-3,20-Dioxopregn-4-en-17-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (13α)-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (13α)-3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]
17α-Hydroxyprogesterone Caproate
211-138-8 [EINECS]
630-56-8 [RN]
hydroxyprogesterone caproate [INN] [Wiki]
TU5085000

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 536.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.3±3.0 kJ/mol
    Flash Point: 227.6±30.2 °C
    Index of Refraction: 1.533
    Molar Refractivity: 120.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.74
    ACD/LogD (pH 5.5): 5.75
    ACD/BCF (pH 5.5): 13738.17
    ACD/KOC (pH 5.5): 31879.95
    ACD/LogD (pH 7.4): 5.75
    ACD/BCF (pH 7.4): 13738.17
    ACD/KOC (pH 7.4): 31879.95
    Polar Surface Area: 60 Å2
    Polarizability: 47.8±0.5 10-24cm3
    Surface Tension: 43.2±5.0 dyne/cm
    Molar Volume: 388.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement