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Search term: ZDRKXADSROCWCG-FVLDFCIYSA-J (Found by InChIKey (full match))
ChemSpider 2D Image | Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(11Z)-1-oxo-11-eicosen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosp hate), ion(4-) | C41H68N7O17P3S

Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(11Z)-1-oxo-11-eicosen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosp hate), ion(4-)

  • Molecular FormulaC41H68N7O17P3S
  • Average mass1056.004 Da
  • Monoisotopic mass1055.362671 Da
  • ChemSpider ID29368167

  • 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)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(11Z)-1-oxo-11-eicosen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosp hate), ion(4-) [ACD/Index Name]
(11Z)-eicos-11-enoyl-CoA
(11Z)-icos-11-enoyl-CoA
(11Z)-eicosenoyl-CoA
(11Z)-eicosenoyl-CoA(4-)
(11Z)-eicosenoyl-coenzyme A(4-)
(11Z)-icos-11-enoyl-CoA
(11Z)-icosenoyl-CoA
(11Z)-icosenoyl-CoA(4-)
(11Z)-icosenoyl-coenzyme A(4-)
More...
  • Miscellaneous

    • Chemical Class:

      A monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (11Z)-eicosenoyl-CoA. ChEBI CHEBI:74069

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: 37
#Rule of 5 Violations: 4
ACD/LogP: 5.15
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 430 Å2
Polarizability:
Surface Tension:
Molar Volume:

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