ChemSpider 2D Image | Palmitoyl-CoA | C37H66N7O17P3S

Palmitoyl-CoA

  • Molecular FormulaC37H66N7O17P3S
  • Average mass1005.943 Da
  • Monoisotopic mass1005.344849 Da
  • ChemSpider ID559149
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1763-10-6 [RN]
Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxohexadecyl)thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
Coenzyme A, S-hexadecanoate (9CI)
Coenzyme A, S-palmitate
Hexadécanethioate de S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-diméthyl-10,14-dioxo-3,5-dioxydo-2,4,6-trioxa-11,15-diaza-3 5,5λ5-diphosphaheptadécan-17-yle} [French] [ACD/IUPAC Name]
hexadecanoyl CoA
Hexadecanoyl-CoA
palmitoyl CoA
Palmitoyl coenzyme A
Palmitoyl-CoA [Wiki]
More...

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

CHEBI:15525 [DBID]
  • Miscellaneous
    • Chemical Class:

      A long-chain fatty acyl-CoA resulting from the formal condensation of the carboxy group of hexadecanoic acid with the thiol group of coenzyme A. ChEBI CHEBI:15525

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 232.1±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 418 Å2
Polarizability: 92.0±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 649.4±7.0 cm3

Click to predict properties on the Chemicalize site






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