ChemSpider 2D Image | O-malonyl-L-carnitine | C10H17NO6


  • Molecular FormulaC10H17NO6
  • Average mass247.245 Da
  • Monoisotopic mass247.105591 Da
  • ChemSpider ID34999703
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(2-Carboxyacetoxy)-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3R)-3-(2-Carboxyacetoxy)-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3R)-3-(2-Carboxyacétoxy)-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-2-[(2-carboxyacetyl)oxy]-N,N,N-trimethyl-, inner salt, (2R)- [ACD/Index Name]
2-[(2-Carboxyacetyl)oxy]-4-hydroxy-N,N,N-trimethyl-4-oxo-1-Butanaminium inner salt
3-Carboxy-2-[(carboxyacetyl)oxy]-N,N,N-trimethyl-1-Propanaminium inner salt
853728-01-5 [RN]
  • Miscellaneous
    • Chemical Class:

      An <element>O</element>-acyl-<stereo>L</stereo>-carnitine in which the acyl group is specified as malonyl. ChEBI CHEBI:85470

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -4.51
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Surface Tension:
Molar Volume:

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