ChemSpider 2D Image | N-[(2R,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid | C21H38N4O8

N-[(2R,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid

  • Molecular FormulaC21H38N4O8
  • Average mass474.548 Da
  • Monoisotopic mass474.268951 Da
  • ChemSpider ID22900853

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acide N-[(2R,3R)-3-amino-2-hydroxy-5-méthylhexanoyl]-L-valyl-L-valyl-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(2R,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]-L-valyl-L-valyl- [ACD/Index Name]
N-[(2R,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-asparaginsäure [German] [ACD/IUPAC Name]
N-[(2R,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid [ACD/IUPAC Name]
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
100992-59-4 [RN]
73465-23-3 [RN]
MFCD00070396

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 795.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.3 mmHg at 25°C
    Enthalpy of Vaporization: 131.7±6.0 kJ/mol
    Flash Point: 434.7±32.9 °C
    Index of Refraction: 1.523
    Molar Refractivity: 118.1±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 8
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): -2.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 208 Å2
    Polarizability: 46.8±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 386.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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