ChemSpider 2D Image | N~5~-Carbamoyl-N~2~-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-D-ornithine | C12H18N4O4S

N5-Carbamoyl-N2-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-D-ornithine

  • Molecular FormulaC12H18N4O4S
  • Average mass314.361 Da
  • Monoisotopic mass314.104889 Da
  • ChemSpider ID23491404

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Ornithine, N5-(aminocarbonyl)-N2-[(2,4-dimethyl-5-thiazolyl)carbonyl]- [ACD/Index Name]
N5-Carbamoyl-N2-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-D-ornithin [German] [ACD/IUPAC Name]
N5-Carbamoyl-N2-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-D-ornithine [ACD/IUPAC Name]
N5-Carbamoyl-N2-[(2,4-diméthyl-1,3-thiazol-5-yl)carbonyl]-D-ornithine [French] [ACD/IUPAC Name]
(2R)-5-(carbamoylamino)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
1212393-25-3 [RN]
2-[(2,4-Dimethyl-thiazole-5-carbonyl)-amino]-5-ureido-pentanoic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 598.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.8±3.0 kJ/mol
    Flash Point: 315.9±30.1 °C
    Index of Refraction: 1.585
    Molar Refractivity: 77.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: -0.85
    ACD/LogD (pH 5.5): -2.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 163 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 62.6±3.0 dyne/cm
    Molar Volume: 232.2±3.0 cm3

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