ChemSpider 2D Image | Alestramustine | C26H36Cl2N2O4

Alestramustine

  • Molecular FormulaC26H36Cl2N2O4
  • Average mass511.481 Da
  • Monoisotopic mass510.205200 Da
  • ChemSpider ID16736564
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(17b)-3-(((Bis(2-chloroethyl)amino)carbonyl)oxy)estra-1,3,5(10)-trien-17-yl L-Alaninate
(17β)-3-{[Bis(2-chlorethyl)carbamoyl]oxy}estra-1,3,5(10)-trien-17-yl-L-alaninat [German] [ACD/IUPAC Name]
(17β)-3-{[Bis(2-chloroethyl)carbamoyl]oxy}estra-1,3,5(10)-trien-17-yl L-alaninate [ACD/IUPAC Name]
139402-18-9 [RN]
7015
81U8A51CHK
Alestramustine [INN] [Wiki]
Estradiol 3-[Bis(2-chloroethyl)carbamate] 17-Ester with L-Alanine
L-Alaninate de (17β)-3-{[bis(2-chloroéthyl)carbamoyl]oxy}estra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
L-Alanine, (17β)-3-[[[bis(2-chloroethyl)amino]carbonyl]oxy]estra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 16.90
ACD/KOC (pH 5.5): 63.97
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 805.09
ACD/KOC (pH 7.4): 3048.40
Polar Surface Area: 82 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 400.8±5.0 cm3

Click to predict properties on the Chemicalize site





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