ChemSpider 2D Image | S5M7KW6U17 | C32H47N5O6S

S5M7KW6U17

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID8006401

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1191101-18-4 [RN]
1-Piperazinecarboxylic acid, 4-[(2S)-3-[3-[(Z)-amino(hydroxyimino)methyl]phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-, ethyl ester [ACD/Index Name]
4-{3-(N'-Hydroxycarbamimidoyl)-N-[(2,4,6-triisopropylphényl)sulfonyl]-L-phénylalanyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
590368-25-5 [RN]
ethyl 4-[(2S)-3-{3-[(Z)-N'-hydroxycarbamimidoyl]phenyl}-2-(2,4,6-triisopropylbenzenesulfonamido)propanoyl]piperazine-1-carboxylate
ethyl 4-[(2S)-3-{3-[(Z)-N'-hydroxycarbamimidoyl]phenyl}-2-[2,4,6-tris(propan-2-yl)benzenesulfonamido]propanoyl]piperazine-1-carboxylate
Ethyl 4-{3-(N'-hydroxycarbamimidoyl)-N-[(2,4,6-triisopropylphenyl)sulfonyl]-L-phenylalanyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-(N'-hydroxycarbamimidoyl)-N-[(2,4,6-triisopropylphenyl)sulfonyl]-L-phenylalanyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
S5M7KW6U17
(S)-ethyl 4-(3-(3-(N-hydroxycarbamimidoyl)phenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9416 [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: 787.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.1±3.0 kJ/mol
    Flash Point: 429.8±35.7 °C
    Index of Refraction: 1.596
    Molar Refractivity: 170.7±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 6.86
    ACD/LogD (pH 5.5): 4.94
    ACD/BCF (pH 5.5): 3139.57
    ACD/KOC (pH 5.5): 10313.64
    ACD/LogD (pH 7.4): 5.04
    ACD/BCF (pH 7.4): 3996.21
    ACD/KOC (pH 7.4): 13127.74
    Polar Surface Area: 163 Å2
    Polarizability: 67.7±0.5 10-24cm3
    Surface Tension: 45.9±7.0 dyne/cm
    Molar Volume: 501.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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