ChemSpider 2D Image | Decanoyl-CoA (n-C10:0CoA) | C31H54N7O17P3S

Decanoyl-CoA (n-C10:0CoA)

  • Molecular FormulaC31H54N7O17P3S
  • Average mass921.783 Da
  • Monoisotopic mass921.250977 Da
  • ChemSpider ID389510
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

Decanoyl-CoA (n-C10:0CoA)
1264-57-9 [RN]
Adenosine, 5'-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxodecyl)thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
Décanethioate de S-{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-5 ,5λ5-diphosphaheptadécan-17-yle} [French] [ACD/IUPAC Name]
S-{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-dipho sphaheptadecan-17-yl} decanethioate [ACD/IUPAC Name]
S-{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-dipho sphaheptadecan-17-yl}-decanthioat [German] [ACD/IUPAC Name]
Decanoyl coenzyme A monohydrate
Decanoyl-coenzyme A
s-decanoate coenzyme a
"COENZYME A, DECANOYL-"
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05274 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 204.4±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -6.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 418 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 78.9±7.0 dyne/cm
Molar Volume: 553.4±7.0 cm3

Click to predict properties on the Chemicalize site






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