ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3-cyclohexyl-D-alanine | C17H23NO4

N-[(Benzyloxy)carbonyl]-3-cyclohexyl-D-alanine

  • Molecular FormulaC17H23NO4
  • Average mass305.369 Da
  • Monoisotopic mass305.162720 Da
  • ChemSpider ID29366412

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Cyclohexanepropanoic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αR)- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-cyclohexyl-D-alanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-cyclohexyl-D-alanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-cyclohexyl-D-alanine [French] [ACD/IUPAC Name]
(2R)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-CYCLOHEXYLPROPANOIC ACID
(R)-2-(((Benzyloxy)carbonyl)amino)-3-cyclohexylpropanoic acid
(S)-N-CARBOBENZYLOXYCYCLOHEXYLALANINOL
[154802-74-1] [RN]
113828-85-6 [RN]
154802-74-1 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 501.4±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.1±3.0 kJ/mol
    Flash Point: 257.1±28.2 °C
    Index of Refraction: 1.542
    Molar Refractivity: 82.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 1.84
    ACD/BCF (pH 5.5): 4.96
    ACD/KOC (pH 5.5): 30.46
    ACD/LogD (pH 7.4): 0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 47.8±3.0 dyne/cm
    Molar Volume: 261.5±3.0 cm3

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