ChemSpider 2D Image | Boc-Val-Cit-OH | C16H30N4O6

Boc-Val-Cit-OH

  • Molecular FormulaC16H30N4O6
  • Average mass374.433 Da
  • Monoisotopic mass374.216522 Da
  • ChemSpider ID57378932

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

870487-08-4 [RN]
Boc-Val-Cit-OH
L-Ornithine, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N5-carbamoyl-L-ornithin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N5-carbamoyl-L-ornithine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-N5-carbamoyl-L-ornithine [French] [ACD/IUPAC Name]
(2S)-2-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-methylbutanamido]-5-(carbamoylamino)pentanoic acid
(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanamido]-5-(carbamoylamino)pentanoic acid
(s)-2-((s)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)-5-ureidopentanoic acid
boc-l-valine-l-cit-oh
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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: 624.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 101.0±6.0 kJ/mol
    Flash Point: 331.7±31.5 °C
    Index of Refraction: 1.504
    Molar Refractivity: 93.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 0.66
    ACD/LogD (pH 5.5): -1.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 160 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 316.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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