ChemSpider 2D Image | (3S)-3-[(Carboxycarbonyl)amino]-5-[2-(4-hydroxyphenyl)ethoxy]-5-oxopentanoic acid | C15H17NO8

(3S)-3-[(Carboxycarbonyl)amino]-5-[2-(4-hydroxyphenyl)ethoxy]-5-oxopentanoic acid

  • Molecular FormulaC15H17NO8
  • Average mass339.297 Da
  • Monoisotopic mass339.095428 Da
  • ChemSpider ID64865978

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(Carboxycarbonyl)amino]-5-[2-(4-hydroxyphenyl)ethoxy]-5-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-[(Carboxycarbonyl)amino]-5-[2-(4-hydroxyphenyl)ethoxy]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-[(carboxycarbonyl)amino]-5-[2-(4-hydroxyphényl)éthoxy]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-[(carboxycarbonyl)amino]-, 1-[2-(4-hydroxyphenyl)ethyl] ester, (3S)- [ACD/Index Name]
(S)-3-(CARBOXYFORMAMIDO)-5-(4-HYDROXYPHENETHOXY)-5-OXOPENTANOIC ACID
2089671-33-8 [RN]
MFCD30828882

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.583
    Molar Refractivity: 78.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 0.57
    ACD/LogD (pH 5.5): -4.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 150 Å2
    Polarizability: 31.2±0.5 10-24cm3
    Surface Tension: 68.2±3.0 dyne/cm
    Molar Volume: 235.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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