ChemSpider 2D Image | trans,trans-deca-2,4-dienoyl-CoA | C31H50N7O17P3S

trans,trans-deca-2,4-dienoyl-CoA

  • Molecular FormulaC31H50N7O17P3S
  • Average mass917.752 Da
  • Monoisotopic mass917.219666 Da
  • ChemSpider ID26332693

  • 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

(2E,4E)-2,4-Décadiènethioate 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]
Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E,4E)-1-oxo-2,4-decadien-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen p hosphate) [ACD/Index 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} (2E,4E)-2,4-decadienethioate [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}-(2E,4E)-2,4-decadienthioat [German] [ACD/IUPAC Name]
trans,trans-deca-2,4-dienoyl-CoA
(2E,4E)-deca-2,4-dienoyl-CoA
(E,E)-deca-2,4-dienoyl-CoA
2E,4E-decadienoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E,4E)-deca-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
trans-δ(2),trans-δ(4)-decadienoyl-CoA
  • Miscellaneous

    • Chemical Class:

      A <stereo>trans</stereo>,<stereo>trans</stereo>-2,3,4,5-tetradehydroacyl-CoA having <stereo>trans</stereo>,<stereo>trans</stereo>-deca-2,4-dienoyl as the <stereo>S</stereo>-acyl component. ChEBI CHEBI:62409
      A trans,trans-2,3,4,5-tetradehydroacyl-CoA having trans,trans-deca-2,4-dienoyl as the S-acyl component. ChEBI CHEBI:62409

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: 1.661
Molar Refractivity: 204.4±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -7.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.61
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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