ChemSpider 2D Image | MFCD01073493 | C12H14D9NO4

MFCD01073493

  • Molecular FormulaC12H14D9NO4
  • Average mass254.371 Da
  • Monoisotopic mass254.219193 Da
  • ChemSpider ID68894904

  • 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

(2R)-3-Carboxy-N,N,N-tri(methyl-d3)-2-(3-methyl-1-oxobutoxy)-1-propanaminium inner salt
(3R)-3-[(3-Methylbutanoyl)oxy]-4-{tris[(2H3)methyl]ammonio}butanoat [German] [ACD/IUPAC Name]
(3R)-3-[(3-Methylbutanoyl)oxy]-4-{tris[(2H3)methyl]ammonio}butanoate [ACD/IUPAC Name]
(3R)-3-[(3-Méthylbutanoyl)oxy]-4-{tris[(2H3)méthyl]ammonio}butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-tri(methyl-d3)-2-(3-methyl-1-oxobutoxy)-, inner salt, (2R)- [ACD/Index Name]
203806-03-5 [RN]
L-Carnitine-(trimethyl-d9) isovaleryl ester
MFCD01073493
Isovaleryl-L-carnitine-(N,N,N-trimethyl-d9)

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: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -2.74
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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