Found 1 result

Search term: 3-(methylsulfanyl)acryloyl-CoA (Found by synonym)
ChemSpider 2D Image | Adenosine, 5'-O-[hydroxy[[hydroxy[[(3R,14E)-3-hydroxy-2,2-dimethyl-4,8,13-trioxo-12,16-dithia-5,9-diazaheptadec-14-en-1-yl]oxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate), ion(4-) | C25H36N7O17P3S2

Adenosine, 5'-O-[hydroxy[[hydroxy[[(3R,14E)-3-hydroxy-2,2-dimethyl-4,8,13-trioxo-12,16-dithia-5,9-diazaheptadec-14-en-1-yl]oxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate), ion(4-)

  • Molecular FormulaC25H36N7O17P3S2
  • Average mass863.643 Da
  • Monoisotopic mass863.084412 Da
  • ChemSpider ID34999552

  • Charge - Charge

    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

Adenosine, 5'-O-[hydroxy[[hydroxy[[(3R,14E)-3-hydroxy-2,2-dimethyl-4,8,13-trioxo-12,16-dithia-5,9-diazaheptadec-14-en-1-yl]oxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate), ion(4-) [ACD/Index Name]
3-(methylsulfanyl)acryloyl-CoA
3-(methylthio)acryloyl-CoA
3-(methylthio)acryloyl-CoA(4-)
methylthioacryloyl-CoA
  • Miscellaneous

    • Chemical Class:

      An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-(methylthio)acryloyl-CoA; major species at pH 7.3. ChEBI CHEBI:84994

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: 24
#H bond donors: 10
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -3.07
ACD/LogD (pH 5.5): -9.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 455 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement