ChemSpider 2D Image | 5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(9Z,12Z)-(1-~14~C)-9,12-octadecadienoylsulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-( dihydrogen phosphate) | C3814CH66N7O17P3S

5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(9Z,12Z)-(1-14C)-9,12-octadecadienoylsulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-( dihydrogen phosphate)

  • Molecular FormulaC3814CH66N7O17P3S
  • Average mass1031.957 Da
  • Monoisotopic mass1031.348145 Da
  • ChemSpider ID57267186

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(9Z,12Z)-(1-14C)-9,12-octadecadienoylsulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosin3'-(di hydrogenphosphat) [German] [ACD/IUPAC Name]
5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(9Z,12Z)-(1-14C)-9,12-octadecadienoylsulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-( dihydrogen phosphate) [ACD/IUPAC Name]
5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(9Z,12Z)-(1-14C)-9,12-octadecadienoylsulfanyl]éthyl}imino)propyl]imino}-2,2-diméthylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adénosine-3'-( dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[(3R)-3,4-dihydroxy-4-[[3-hydroxy-3-[[2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl-1-14C]thio]ethyl]imino]propyl]imino]-2,2-dimethylbutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
LINOLEOYL COENZYME A, [LINOLEOYL 1-14C]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 241.3±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 95.7±0.5 10-24cm3
Surface Tension: 68.3±7.0 dyne/cm
Molar Volume: 681.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement