ChemSpider 2D Image | N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alloisoleucine | C11H20N2O5S

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

  • Molecular FormulaC11H20N2O5S
  • Average mass292.352 Da
  • Monoisotopic mass292.109283 Da
  • ChemSpider ID26042414

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Alloisoleucine, N-[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]- [ACD/Index Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alloisoleucin [German] [ACD/IUPAC Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-L-alloisoleucine [ACD/IUPAC Name]
N-[(1,1-Dioxydotétrahydro-3-thiophényl)carbamoyl]-L-alloisoleucine [French] [ACD/IUPAC Name]
(2S,3R)-2-(3-(1,1-dioxidotetrahydrothiophen-3-yl)ureido)-3-methylpentanoic acid
(2S,3R)-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methylpentanoic acid
(2S,3R)-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methyl-pentanoic acid
1491141-31-1 [RN]
MFCD18178803
N-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-isoleucine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 622.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 100.6±6.0 kJ/mol
    Flash Point: 330.0±31.5 °C
    Index of Refraction: 1.537
    Molar Refractivity: 68.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.73
    ACD/LogD (pH 5.5): -2.71
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 54.6±5.0 dyne/cm
    Molar Volume: 220.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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