ChemSpider 2D Image | Valategrast | C30H32Cl3N3O4

Valategrast

  • Molecular FormulaC30H32Cl3N3O4
  • Average mass604.952 Da
  • Monoisotopic mass603.145813 Da
  • ChemSpider ID9738408

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(Diethylamino)ethyl N-(2-chloro-6-methylbenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-L-phenylalaninate [ACD/IUPAC Name]
2-(Diethylamino)ethyl-N-(2-chlor-6-methylbenzoyl)-4-[(2,6-dichlorbenzoyl)amino]-L-phenylalaninat [German] [ACD/IUPAC Name]
220847-86-9 [RN]
L-Phenylalanine, N-(2-chloro-6-methylbenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-, 2-(diethylamino)ethyl ester [ACD/Index Name]
N-(2-Chloro-6-méthylbenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-L-phénylalaninate de 2-(diéthylamino)éthyle [French] [ACD/IUPAC Name]
valategrast [Spanish] [INN]
Valategrast [INN]
valatégrast [French] [INN]
valategrastum [Latin] [INN]
валатеграст [Russian] [INN]
More...

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

06DM4KX7JG [DBID]
8541 [DBID]
UNII-06DM4KX7JG [DBID]
R-411 [DBID]
UNII:06DM4KX7JG [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 681.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.0±3.0 kJ/mol
    Flash Point: 366.1±31.5 °C
    Index of Refraction: 1.609
    Molar Refractivity: 161.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 5.42
    ACD/LogD (pH 5.5): 3.02
    ACD/BCF (pH 5.5): 22.24
    ACD/KOC (pH 5.5): 45.07
    ACD/LogD (pH 7.4): 4.26
    ACD/BCF (pH 7.4): 381.50
    ACD/KOC (pH 7.4): 773.04
    Polar Surface Area: 88 Å2
    Polarizability: 63.8±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 464.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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