ChemSpider 2D Image | N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-valine | C10H18N2O5S

N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-valine

  • Molecular FormulaC10H18N2O5S
  • Average mass278.325 Da
  • Monoisotopic mass278.093628 Da
  • ChemSpider ID25557151

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Valine, N-[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]- [ACD/Index Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-valin [German] [ACD/IUPAC Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-valine [ACD/IUPAC Name]
N-[(1,1-Dioxydotétrahydro-3-thiophényl)carbamoyl]-L-valine [French] [ACD/IUPAC Name]
(2S)-2-(3-(1,1-dioxidotetrahydrothiophen-3-yl)ureido)-3-methylbutanoic acid
(2S)-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methyl-butanoic acid
MFCD10011640
N-{[(1,1-dioxidotetrahydrothien-3-yl)amino]carbonyl}-L-valine

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 624.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±6.0 kJ/mol
    Flash Point: 331.5±31.5 °C
    Index of Refraction: 1.541
    Molar Refractivity: 64.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.26
    ACD/LogD (pH 5.5): -3.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 203.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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