ChemSpider 2D Image | (2R,3S)-4-Amino-3-{[(benzyloxy)carbonyl]amino}-4-oxo-2-butanyl methanesulfonate | C13H18N2O6S

(2R,3S)-4-Amino-3-{[(benzyloxy)carbonyl]amino}-4-oxo-2-butanyl methanesulfonate

  • Molecular FormulaC13H18N2O6S
  • Average mass330.357 Da
  • Monoisotopic mass330.088562 Da
  • ChemSpider ID48059417

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-4-Amino-3-{[(benzyloxy)carbonyl]amino}-4-oxo-2-butanyl methanesulfonate [ACD/IUPAC Name]
(2R,3S)-4-Amino-3-{[(benzyloxy)carbonyl]amino}-4-oxo-2-butanyl-methansulfonat [German] [ACD/IUPAC Name]
80082-51-5 [RN]
Carbamic acid, N-[(1S,2R)-1-(aminocarbonyl)-2-[(methylsulfonyl)oxy]propyl]-, phenylmethyl ester [ACD/Index Name]
Méthanesulfonate de (2R,3S)-4-amino-3-{[(benzyloxy)carbonyl]amino}-4-oxo-2-butanyle [French] [ACD/IUPAC Name]
Phenylmethyl N-[(1S,2R)-1-(aminocarbonyl)-2-[(methylsulfonyl)oxy]propyl]carbamate
(2R,3S)-4-amino-3-(((benzyloxy)carbonyl)amino)-4-oxobutan-2-yl methanesulfonate
[(2R,3S)-4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] methanesulfonate
BENZYLOXYCARBONYL THREONINE AMIDE O-MESYLATE
N-Benzyloxycarbonyl L-Threonine Amide O-Methanesulfonate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 609.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.5±3.0 kJ/mol
    Flash Point: 322.5±31.5 °C
    Index of Refraction: 1.555
    Molar Refractivity: 78.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.95
    ACD/LogD (pH 5.5): 0.70
    ACD/BCF (pH 5.5): 1.99
    ACD/KOC (pH 5.5): 56.99
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.99
    ACD/KOC (pH 7.4): 56.84
    Polar Surface Area: 133 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 246.0±3.0 cm3

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