ChemSpider 2D Image | (3R)-3-[(9Z)-9-Hexadecenoyloxy]-4-(trimethylammonio)butanoate | C23H43NO4

(3R)-3-[(9Z)-9-Hexadecenoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC23H43NO4
  • Average mass397.592 Da
  • Monoisotopic mass397.319214 Da
  • ChemSpider ID107447736
  • 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-[(9Z)-9-Hexadecenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3R)-3-[(9Z)-9-Hexadecenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3R)-3-[(9Z)-9-Hexadecenoyloxy]-4-(trim├ęthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-, inner salt, (2R)- [ACD/Index Name]
329321-94-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 19
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 17.43
ACD/KOC (pH 5.5): 398.13
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 17.53
ACD/KOC (pH 7.4): 400.40
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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