ChemSpider 2D Image | (2S)-1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N-formyl-L-(5',5',5'-~2~H_3_)leucinate | C29H50D3NO5

(2S)-1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N-formyl-L-(5',5',5'-2H3)leucinate

  • Molecular FormulaC29H50D3NO5
  • Average mass498.753 Da
  • Monoisotopic mass498.411194 Da
  • ChemSpider ID48062735

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N-formyl-L-(5',5',5'-2H3)leucinate [ACD/IUPAC Name]
(2S)-1-[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl-N-formyl-L-(5',5',5'-2H3)leucinat [German] [ACD/IUPAC Name]
L-Leucine-5',5',5'-d3, N-formyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester [ACD/Index Name]
N-Formyl-L-(5',5',5'-2H3)leucinate de (2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxétanyl]-2-tridécanyle [French] [ACD/IUPAC Name]
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-5,5,5-trideuterio-2-formamido-4-methylpentanoate
1356930-46-5 [RN]
ORLISTAT-D3

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 615.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.4±3.0 kJ/mol
    Flash Point: 326.3±24.6 °C
    Index of Refraction: 1.470
    Molar Refractivity: 141.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 23
    #Rule of 5 Violations: 1
    ACD/LogP: 8.94
    ACD/LogD (pH 5.5): 8.95
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1773130.38
    ACD/LogD (pH 7.4): 8.95
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1773130.38
    Polar Surface Area: 82 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 35.7±3.0 dyne/cm
    Molar Volume: 507.6±3.0 cm3

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