Tetradec-13-Ynoic Acid Coenzyme A

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Formula C35H58N7O17P3S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[[[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-tetradec-13-ynoylsulfanylethylamino)propyl]amino]butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 973.858 g·mol−1
Heat of Formation -3232.9 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 1103.88 Å 3
Surface Area 694.42 Å 2
Point Group Symmetry C1
InChIKey YPDKCQHYDROOAS-QSGBVPJFSA-N
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