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Search term: AZCVXMAPLHSIKY-HSJNEKGZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Oxodecanoyl-CoA | C31H52N7O18P3S

3-Oxodecanoyl-CoA

  • Molecular FormulaC31H52N7O18P3S
  • Average mass935.767 Da
  • Monoisotopic mass935.230225 Da
  • ChemSpider ID10140149

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Oxodécanethioate 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- ;3λ5,5λ5-diphosphaheptadécan-17-yle} [French] [ACD/IUPAC Name]
3-Oxodecanoyl-CoA
50411-91-1 [RN]
Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[(1,3-dioxodecyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
Coenzyme A, S-(3-oxodecanoate)
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5λ5- diphosphaheptadecan-17-yl} 3-oxodecanethioate [ACD/IUPAC Name]
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5λ5- diphosphaheptadecan-17-yl}-3-oxodecanthioat [German] [ACD/IUPAC Name]
3-ketodecanoyl-CoA
3-Keto-Decanoyl-Coa
3-ketodecanoyl-coenzyme A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:28528 [DBID]
  • Miscellaneous

    • Chemical Class:

      An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxodecanoic acid. ChEBI CHEBI:28528

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 205.3±0.5 cm3
#H bond acceptors: 25
#H bond donors: 10
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -7.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 435 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 81.7±7.0 dyne/cm
Molar Volume: 550.6±7.0 cm3

Click to predict properties on the Chemicalize site


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