ChemSpider 2D Image | MFCD22416941 | C25H47NO4

MFCD22416941

  • Molecular FormulaC25H47NO4
  • Average mass425.645 Da
  • Monoisotopic mass425.350494 Da
  • ChemSpider ID21403150

  • 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

(2R)-3-Carboxy-N,N,N-trimethyl-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-propanaminium inner salt
(3R)-3-[(9Z)-9-Octadecenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3R)-3-[(9Z)-9-Octadecenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3R)-3-[(9Z)-9-Octadecenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
(R)-oleoylcarnitine
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, inner salt, (2R)- [ACD/Index Name]
38677-66-6 [RN]
cis-9-Octadecenoyl-L-carnitine
MFCD22416941
Oleoylcarnitine
More...

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

IQ19DDF3A0 [DBID]
UNII:IQ19DDF3A0 [DBID]

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:

Click to predict properties on the Chemicalize site


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