ChemSpider 2D Image | (2S,3S)-3-Amino-2-hydroxyheptanoic acid | C7H15NO3

(2S,3S)-3-Amino-2-hydroxyheptanoic acid

  • Molecular FormulaC7H15NO3
  • Average mass161.199 Da
  • Monoisotopic mass161.105194 Da
  • ChemSpider ID19411387

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-Amino-2-hydroxyheptanoic acid [ACD/IUPAC Name]
(2S,3S)-3-Amino-2-hydroxyheptansäure [German] [ACD/IUPAC Name]
254438-54-5 [RN]
Acide (2S,3S)-3-amino-2-hydroxyheptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 3-amino-2-hydroxy-, (2S,3S)- [ACD/Index Name]
(2S,3S)-3-AMINO-2-HYDROXYHEPTANOICACID
MFCD08669356

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 345.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 68.2±6.0 kJ/mol
    Flash Point: 162.5±23.7 °C
    Index of Refraction: 1.495
    Molar Refractivity: 41.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): -2.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 140.6±3.0 cm3

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