Found 1 result

Search term: 28533287 (Found by CSID)
ChemSpider 2D Image | cis,cis-tetradeca-5,8-dienoyl-CoA | C35H58N7O17P3S

cis,cis-tetradeca-5,8-dienoyl-CoA

  • Molecular FormulaC35H58N7O17P3S
  • Average mass973.858 Da
  • Monoisotopic mass973.282288 Da
  • ChemSpider ID28533287

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5Z,8Z)-5,8-Tétradécadiènethioate 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-trio ;xa-11,15-diaza-3λ5,5λ5-diphosphaheptadécan-17-yle} [French] [ACD/IUPAC Name]
68134-76-9 [RN]
Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(5Z,8Z)-1-oxo-5,8-tetradecadien-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydro gen phosphate) [ACD/Index Name]
cis,cis-tetradeca-5,8-dienoyl-CoA
Coenzyme A, S-(5Z,8Z)-5,8-tetradecadienoate
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} (5Z,8Z)-5,8-tetradecadienethioate [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}-(5Z,8Z)-5,8-tetradecadienthioat [German] [ACD/IUPAC Name]
(cis,cis-δ(5),δ(8))-tetradecanoyl-CoA
(cis,cis-δ(5),δ(8))-tetradecanoyl-coenzyme A
(cis-δ(5),cis-δ(8))-tetradecanoyl-CoA
More...
  • Miscellaneous

    • Chemical Class:

      An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of <stereo>cis</stereo>,<stereo>cis</stereo>-tetradeca-5,8-dienoic acid ChEBI CHEBI:70713
      An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis,cis-tetradeca-5,8-dienoic acid ChEBI CHEBI:70713

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 222.9±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -6.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 418 Å2
Polarizability: 88.4±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 617.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement