ChemSpider 2D Image | (2R)-2-(1-Benzoyl-2-{2-[(methylsulfonyl)oxy]ethyl}hydrazino)-2-(2-chloroethyl)pentanedioic acid | C17H23ClN2O8S

(2R)-2-(1-Benzoyl-2-{2-[(methylsulfonyl)oxy]ethyl}hydrazino)-2-(2-chloroethyl)pentanedioic acid

  • Molecular FormulaC17H23ClN2O8S
  • Average mass450.891 Da
  • Monoisotopic mass450.086365 Da
  • ChemSpider ID65792394

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(1-Benzoyl-2-{2-[(methylsulfonyl)oxy]ethyl}hydrazino)-2-(2-chlorethyl)pentandisäure [German] [ACD/IUPAC Name]
(2R)-2-(1-Benzoyl-2-{2-[(methylsulfonyl)oxy]ethyl}hydrazino)-2-(2-chloroethyl)pentanedioic acid [ACD/IUPAC Name]
Acide (2R)-2-(1-benzoyl-2-{2-[(méthylsulfonyl)oxy]éthyl}hydrazino)-2-(2-chloroéthyl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[1-benzoyl-2-[2-[(methylsulfonyl)oxy]ethyl]hydrazinyl]-2-(2-chloroethyl)-, (2R)- [ACD/Index Name]
(2-chloroethyl)(2-mesyloxyethyl)aminobenzoyl-l-glutamic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 360.9±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 313.7±3.0 cm3

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