ChemSpider 2D Image | 6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-alloisoleucinate | C23H24ClNO6S

6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-alloisoleucinate

  • Molecular FormulaC23H24ClNO6S
  • Average mass477.958 Da
  • Monoisotopic mass477.101288 Da
  • ChemSpider ID21834343

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6-Chlor-4-methyl-2-oxo-2H-chromen-7-yl-N-[(4-methylphenyl)sulfonyl]-L-alloisoleucinat [German] [ACD/IUPAC Name]
6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-alloisoleucinate [ACD/IUPAC Name]
L-Alloisoleucine, N-[(4-methylphenyl)sulfonyl]-, 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester [ACD/Index Name]
N-[(4-Méthylphényl)sulfonyl]-L-alloisoleucinate de 6-chloro-4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(2S,3R)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate
1173675-44-9 [RN]
3-Methyl-2-(toluene-4-sulfonylamino)-pentanoic acid 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl ester
6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate [ACD/IUPAC Name]
6-chloro-4-methyl-2-oxochromen-7-yl (2S,3R)-3-methyl-2-{[(4-methylphenyl)sulfonyl]amino}pentanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 642.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.9±3.0 kJ/mol
    Flash Point: 342.6±34.3 °C
    Index of Refraction: 1.582
    Molar Refractivity: 121.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.84
    ACD/LogD (pH 5.5): 5.00
    ACD/BCF (pH 5.5): 3724.40
    ACD/KOC (pH 5.5): 12521.69
    ACD/LogD (pH 7.4): 4.98
    ACD/BCF (pH 7.4): 3517.75
    ACD/KOC (pH 7.4): 11826.93
    Polar Surface Area: 107 Å2
    Polarizability: 48.0±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 362.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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