ChemSpider 2D Image | (3R)-3-(Isobutyryloxy)-4-{tris[(~2~H_3_)methyl]ammonio}butanoate | C11H12D9NO4

(3R)-3-(Isobutyryloxy)-4-{tris[(2H3)methyl]ammonio}butanoate

  • Molecular FormulaC11H12D9NO4
  • Average mass240.344 Da
  • Monoisotopic mass240.203552 Da
  • ChemSpider ID98645524

  • 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)-3-(Isobutyryloxy)-4-{tris[(2H3)methyl]ammonio}butanoat [German] [ACD/IUPAC Name]
(3R)-3-(Isobutyryloxy)-4-{tris[(2H3)methyl]ammonio}butanoate [ACD/IUPAC Name]
(3R)-3-(Isobutyryloxy)-4-{tris[(2H3)méthyl]ammonio}butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-tri(methyl-d3)-2-(2-methyl-1-oxopropoxy)-, inner salt, (2R)- [ACD/Index Name]
(2R)-3-Carboxy-N,N,N-tri(methyl-d3)-2-(2-methyl-1-oxopropoxy)-1-propanaminium inner salt
Isobutyryl-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: 7
#Rule of 5 Violations: 0
ACD/LogP: -3.27
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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