ChemSpider 2D Image | (3R)-4-{Dimethyl[(~2~H_3_)methyl]ammonio}-3-[(3-hydroxy-3-methylbutanoyl)oxy]butanoate | C12H20D3NO5

(3R)-4-{Dimethyl[(2H3)methyl]ammonio}-3-[(3-hydroxy-3-methylbutanoyl)oxy]butanoate

  • Molecular FormulaC12H20D3NO5
  • Average mass264.333 Da
  • Monoisotopic mass264.176453 Da
  • ChemSpider ID48061040

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-4-{Dimethyl[(2H3)methyl]ammonio}-3-[(3-hydroxy-3-methylbutanoyl)oxy]butanoat [German] [ACD/IUPAC Name]
(3R)-4-{Dimethyl[(2H3)methyl]ammonio}-3-[(3-hydroxy-3-methylbutanoyl)oxy]butanoate [ACD/IUPAC Name]
(3R)-4-{Diméthyl[(2H3)méthyl]ammonio}-3-[(3-hydroxy-3-méthylbutanoyl)oxy]butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-2-(3-hydroxy-3-methyl-1-oxobutoxy)-N,N-dimethyl-N-(methyl-d3)-, inner salt, (2R)- [ACD/Index Name]
(2R)-3-Carboxy-2-(3-hydroxy-3-methyl-1-oxobutoxy)-N,N-dimethyl-N-(methyl-d3)-1-propanaminium inner salt
1058636-00-2 [RN]
3-Hydroxyisovaleryl-L-carnitine-(N-methyl-d3)

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

    Density:
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
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    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: -4.53
    ACD/LogD (pH 5.5): -3.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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