ChemSpider 2D Image | MFCD18831554 | C9H17NO5

MFCD18831554

  • Molecular FormulaC9H17NO5
  • Average mass219.235 Da
  • Monoisotopic mass219.110672 Da
  • ChemSpider ID24206383

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
(3R)-3-Hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
(R)-4-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid
120021-39-8 [RN]
Acide (3R)-3-hydroxy-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (3R)- [ACD/Index Name]
MFCD18831554
(3R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-3-HYDROXYBUTANOIC ACID
(3R)-4-[[BOC]Amino]-3-hydroxy-butanoic acid
(3R)-4-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid
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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: 411.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.8±6.0 kJ/mol
    Flash Point: 202.9±27.3 °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: 0.07
    ACD/LogD (pH 5.5): -1.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.35
    ACD/LogD (pH 7.4): -2.91
    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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