ChemSpider 2D Image | Cytestrol acetate | C29H35Cl2NO6

Cytestrol acetate

  • Molecular FormulaC29H35Cl2NO6
  • Average mass564.497 Da
  • Monoisotopic mass563.184143 Da
  • ChemSpider ID58838619

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11α,17α)-3-{[Bis(2-chlorethyl)carbamoyl]oxy}-19-norpregna-1(10),2,4-trien-20-in-11,17-diyl-diacetat [German] [ACD/IUPAC Name]
(11α,17α)-3-{[Bis(2-chloroethyl)carbamoyl]oxy}-19-norpregna-1(10),2,4-trien-20-yne-11,17-diyl diacetate [ACD/IUPAC Name]
Carbamic acid, N,N-bis(2-chloroethyl)-, (11α,17β)-11,17-bis(acetyloxy)-17-ethynylestra-1(10),2,4-trien-3-yl ester [ACD/Index Name]
Cytestrol acetate [Wiki]
Diacétate de (11α,17α)-3-{[bis(2-chloroéthyl)carbamoyl]oxy}-19-norprégna-1(10),2,4-trién-20-yne-11,17-diyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8370.97
ACD/KOC (pH 5.5): 22362.13
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8370.97
ACD/KOC (pH 7.4): 22362.13
Polar Surface Area: 82 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

Click to predict properties on the Chemicalize site


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