ChemSpider 2D Image | (R)-4-N-Boc-amino-2-hydroxybutyric acid | C9H17NO5

(R)-4-N-Boc-amino-2-hydroxybutyric acid

  • Molecular FormulaC9H17NO5
  • Average mass219.235 Da
  • Monoisotopic mass219.110672 Da
  • ChemSpider ID22938156

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
(2R)-2-Hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
(2R)-4-[(tert-Butoxycarbonyl)amino]-2-hydroxybutanoic acid
(R)-4-((tert-Butoxycarbonyl)amino)-2-hydroxybutanoic acid
(R)-4-N-Boc-amino-2-hydroxybutyric acid
496918-28-6 [RN]
Acide (2R)-2-hydroxy-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, (2R)- [ACD/Index Name]
(2R)-4-{[(TERT-BUTOXY)CARBONYL]AMINO}-2-HYDROXYBUTANOIC ACID
(R)-4-N-Boc-amino-2-hydroxybutyricacid
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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: 422.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.2±6.0 kJ/mol
    Flash Point: 209.5±25.9 °C
    Index of Refraction: 1.485
    Molar Refractivity: 52.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.73
    ACD/LogD (pH 5.5): -1.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 46.0±3.0 dyne/cm
    Molar Volume: 182.0±3.0 cm3

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