ChemSpider 2D Image | (4S)-4-[(2E,4Z)-2,4-Decadienoyloxy]-4-(trimethylammonio)butanoate | C17H29NO4

(4S)-4-[(2E,4Z)-2,4-Decadienoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC17H29NO4
  • Average mass311.417 Da
  • Monoisotopic mass311.209656 Da
  • ChemSpider ID30776706

  • 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

(4S)-4-[(2E,4Z)-2,4-Decadienoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(4S)-4-[(2E,4Z)-2,4-Decadienoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(4S)-4-[(2E,4Z)-2,4-Decadienoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-1-[[(2E,4Z)-1-oxo-2,4-decadien-1-yl]oxy]-, inner salt, (1S)- [ACD/Index Name]
(4S)-4-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylaminio)butanoate
(4S)-4-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylammonio)butanoate
(4S)-4-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate
2-trans,4-cis-Decadienoylcarnitine

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

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: 12
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.10
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.47
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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