ChemSpider 2D Image | (3R)-3-[(2E)-2-Tetradecenoyloxy]-4-(trimethylammonio)butanoate | C21H39NO4

(3R)-3-[(2E)-2-Tetradecenoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC21H39NO4
  • Average mass369.539 Da
  • Monoisotopic mass369.287903 Da
  • ChemSpider ID74849341

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-[(2E)-2-Tetradecenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3R)-3-[(2E)-2-Tetradecenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3R)-3-[(2E)-2-Tetradecenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(2E)-1-oxo-2-tetradecen-1-yl]oxy]-, inner salt, (2R)- [ACD/Index Name]
(2R)-3-Carboxy-N,N,N-trimethyl-2-[[(2E)-1-oxo-2-tetradecen-1-yl]oxy]-1-propanaminium inner salt
C14:1-Carnitine
trans-2-Myristenoyl-L-carnitine
trans-2-Tetradecenoyl-L-carnitine

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: 17
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 17.34
ACD/KOC (pH 5.5): 396.60
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 17.43
ACD/KOC (pH 7.4): 398.76
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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