ChemSpider 2D Image | (3R)-4-{Dimethyl[(~2~H_3_)methyl]ammonio}-3-[(9E)-9-octadecenoyloxy]butanoate | C25H44D3NO4

(3R)-4-{Dimethyl[(2H3)methyl]ammonio}-3-[(9E)-9-octadecenoyloxy]butanoate

  • Molecular FormulaC25H44D3NO4
  • Average mass428.664 Da
  • Monoisotopic mass428.369354 Da
  • ChemSpider ID114779754

  • Double-bond stereo - Double-bond stereo

    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-[(9E)-9-octadecenoyloxy]butanoat [German] [ACD/IUPAC Name]
(3R)-4-{Dimethyl[(2H3)methyl]ammonio}-3-[(9E)-9-octadecenoyloxy]butanoate [ACD/IUPAC Name]
(3R)-4-{Diméthyl[(2H3)méthyl]ammonio}-3-[(9E)-9-octadecenoyloxy]butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N-dimethyl-N-(methyl-d3)-2-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]-, inner salt, (2R)- [ACD/Index Name]
Oleoyl-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:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 693.47
ACD/KOC (pH 5.5): 5559.35
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 697.43
ACD/KOC (pH 7.4): 5591.09
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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