ChemSpider 2D Image | Z-Asp(OcHex)-OH | C18H23NO6

Z-Asp(OcHex)-OH

  • Molecular FormulaC18H23NO6
  • Average mass349.378 Da
  • Monoisotopic mass349.152527 Da
  • ChemSpider ID28599659

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-(cyclohexyloxy)-4-oxobutanoic acid [ACD/IUPAC Name]
(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-(cyclohexyloxy)-4-oxobutansäure [German] [ACD/IUPAC Name]
211797-21-6 [RN]
Acide (2S)-2-{[(benzyloxy)carbonyl]amino}-4-(cyclohexyloxy)-4-oxobutanoïque [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-cyclohexyl ester [ACD/Index Name]
Z-Asp(OcHex)-OH
(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-(cyclohexyloxy)-4-oxobutanoic acid (non-preferred name)
(S)-2-(((Benzyloxy)carbonyl)amino)-4-(cyclohexyloxy)-4-oxobutanoic acid
[211797-21-6] [RN]
MFCD00191068 [MDL number]
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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: 540.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.0±3.0 kJ/mol
    Flash Point: 280.4±32.9 °C
    Index of Refraction: 1.573
    Molar Refractivity: 89.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.57
    ACD/LogD (pH 5.5): 0.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.03
    ACD/LogD (pH 7.4): -0.80
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 105 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 49.1±7.0 dyne/cm
    Molar Volume: 272.1±7.0 cm3

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