ChemSpider 2D Image | (3R)-3-{[(9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(trimethylammonio)butanoate | C25H47NO5

(3R)-3-{[(9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(trimethylammonio)butanoate

  • Molecular FormulaC25H47NO5
  • Average mass441.644 Da
  • Monoisotopic mass441.345428 Da
  • ChemSpider ID48061587

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-3-{[(9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3R)-3-{[(9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3R)-3-{[(9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-2-[[(9Z)-3-hydroxy-1-oxo-9-octadecen-1-yl]oxy]-N,N,N-trimethyl-, inner salt, (2R)- [ACD/Index Name]
3-Hydroxyoleylcarnitine(Mixture of Diastereomers)
851132-91-7 [RN]

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

    Density:
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 21
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 21.23
    ACD/KOC (pH 5.5): 458.41
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 21.34
    ACD/KOC (pH 7.4): 460.93
    Polar Surface Area: 87 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


    Advertisement