ChemSpider 2D Image | (3S)-3-[(5Z)-5-Tetradecenoyloxy]-4-(trimethylammonio)butanoate | C21H39NO4

(3S)-3-[(5Z)-5-Tetradecenoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC21H39NO4
  • Average mass369.539 Da
  • Monoisotopic mass369.287903 Da
  • ChemSpider ID29788203

  • 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

(3S)-3-[(5Z)-5-Tetradecenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3S)-3-[(5Z)-5-Tetradecenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3S)-3-[(5Z)-5-Tetradecenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(5Z)-1-oxo-5-tetradecen-1-yl]oxy]-, inner salt, (2S)- [ACD/Index Name]
(2R)-
(2R)-3-Carboxy-N,N,N-trimethyl-2-[[(5Z)-1-oxo-5-tetradecen-1-yl]oxy]-1-propanaminium Inner Salt
1186416-86-3 [RN]
5-cis-Tetradecenoyl 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: 1.83
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 15.90
ACD/KOC (pH 5.5): 372.79
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 15.99
ACD/KOC (pH 7.4): 374.90
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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