ChemSpider 2D Image | (3S)-3-[(4-Carboxybutanoyl)oxy]-4-(trimethylammonio)butanoate | C12H21NO6


  • Molecular FormulaC12H21NO6
  • Average mass275.298 Da
  • Monoisotopic mass275.136902 Da
  • ChemSpider ID29790019
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(4-Carboxybutanoyl)oxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3S)-3-[(4-Carboxybutanoyl)oxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3S)-3-[(4-Carboxybutanoyl)oxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-2-(4-carboxy-1-oxobutoxy)-N,N,N-trimethyl-, inner salt, (2S)- [ACD/Index Name]
(2R)-3-Carboxy-2-(4-carboxy-1-oxobutoxy)-N,N,N-trimethyl-1-propanaminium inner salt
102636-82-8 [RN]
L-Glutaryl carnitine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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: 10
#Rule of 5 Violations: 0
ACD/LogP: -4.13
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.30
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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