ChemSpider 2D Image | 3-oxopalmitoyl-CoA(4-) | C37H60N7O18P3S

3-oxopalmitoyl-CoA(4-)

  • Molecular FormulaC37H60N7O18P3S
  • Average mass1015.897 Da
  • Monoisotopic mass1015.295044 Da
  • ChemSpider ID27471283

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-oxopalmitoyl-CoA(4-)
Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[(1,3-dioxohexadecyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate), io n(4-) [ACD/Index Name]
3-Oxohexadecanoyl-CoA
3-Oxopalmitoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}

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

CHEBI:57349 [DBID]
  • Miscellaneous

    • Chemical Class:

      An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxopalmitoyl-CoA. ChEBI CHEBI:57349

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: 25
#H bond donors: 10
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 2.25
ACD/LogD (pH 5.5): -4.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 447 Å2
Polarizability:
Surface Tension:
Molar Volume:

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