ChemSpider 2D Image | Estramustine Phosphate | C23H32Cl2NO6P

Estramustine Phosphate

  • Molecular FormulaC23H32Cl2NO6P
  • Average mass520.383 Da
  • Monoisotopic mass519.134399 Da
  • ChemSpider ID227633

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-17-(Phosphonooxy)estra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate [ACD/IUPAC Name]
(17β)-17-(Phosphonooxy)estra-1(10),2,4-trien-3-yl-bis(2-chlorethyl)carbamat [German] [ACD/IUPAC Name]
225-512-3 [EINECS]
4891-15-0 [RN]
Bis(2-chloroéthyl)carbamate de (17β)-17-(phosphonooxy)estra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N,N-bis(2-chloroethyl)-, (17β)-17-(phosphonooxy)estra-1(10),2,4-trien-3-yl ester [ACD/Index Name]
estracyt [Trade name]
estramustine phosphate
Estramustine Phosphate [Wiki]
MUZ9585Y7B
More...

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

NSC89199 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 371.5±5.0 cm3

Click to predict properties on the Chemicalize site


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