ChemSpider 2D Image | Octyl beta-hydroxy-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}phenylalaninate | C27H37N3O7S

Octyl β-hydroxy-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}phenylalaninate

  • Molecular FormulaC27H37N3O7S
  • Average mass547.664 Da
  • Monoisotopic mass547.235229 Da
  • ChemSpider ID3757029

More details:

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

Octyl β-hydroxy-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}phenylalaninate [ACD/IUPAC Name]
Octyl-β-hydroxy-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}phenylalaninat [German] [ACD/IUPAC Name]
Phenylalanine, N-[4-[[4-(aminosulfonyl)phenyl]amino]-1,4-dioxobutyl]-β-hydroxy-, octyl ester [ACD/Index Name]
β-Hydroxy-N-{4-oxo-4-[(4-sulfamoylphényl)amino]butanoyl}phénylalaninate d'octyle [French] [ACD/IUPAC Name]
1214710-73-2 [RN]
3-hydroxy-2-[[4-keto-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenyl-propionic acid octyl ester
3-Hydroxy-3-phenyl-2-[3-(4-sulfamoyl-phenylcarbamoyl)-propionylamino]-propionic acid octyl ester
cid_4563757
octyl 3-hydroxy-2-(4-oxo-4-((4-sulfamoylphenyl)amino)butanamido)-3-phenylpropanoate
octyl 3-hydroxy-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenylpropanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MLS000551296 [DBID]
SMR000145222 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.578
    Molar Refractivity: 144.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 3
    ACD/LogP: 4.36
    ACD/LogD (pH 5.5): 3.97
    ACD/BCF (pH 5.5): 612.59
    ACD/KOC (pH 5.5): 3440.75
    ACD/LogD (pH 7.4): 3.97
    ACD/BCF (pH 7.4): 611.07
    ACD/KOC (pH 7.4): 3432.25
    Polar Surface Area: 173 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 56.4±3.0 dyne/cm
    Molar Volume: 434.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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