ChemSpider 2D Image | (3R)-3-{[(3R,9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(trimethylammonio)butanoate | C25H47NO5

(3R)-3-{[(3R,9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(trimethylammonio)butanoate

  • Molecular FormulaC25H47NO5
  • Average mass441.644 Da
  • Monoisotopic mass441.345428 Da
  • ChemSpider ID98645393

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-{[(3R,9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3R)-3-{[(3R,9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3R)-3-{[(3R,9Z)-3-Hydroxy-9-octadecenoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-2-[[(3R,9Z)-3-hydroxy-1-oxo-9-octadecen-1-yl]oxy]-N,N,N-trimethyl-, inner salt, (2R)- [ACD/Index Name]
(2R)-3-Carboxy-2-[[(3R,9Z)-3-hydroxy-1-oxo-9-octadecen-1-yl]oxy]-N,N,N-trimethyl-1-propanaminium inner salt
(3R)-3-Hydroxyoleyl-L-carnitine
[(3R)-3-Hydroxy-cis-octadec-9-enoyl]-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: 6
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 21.23
ACD/KOC (pH 5.5): 458.41
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 21.34
ACD/KOC (pH 7.4): 460.93
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

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