ChemSpider 2D Image | 5'-O-[({[(3R)-3,4-Dihydroxy-4-({3-hydroxy-3-[(2-{[3-hydroxy(1-~14~C)decanoyl]sulfanyl}ethyl)imino]propyl}imino)-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) | C3014CH54N7O18P3S

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

  • Molecular FormulaC3014CH54N7O18P3S
  • Average mass939.775 Da
  • Monoisotopic mass939.249146 Da
  • ChemSpider ID57267488

  • defined stereocentres - 5 of 6 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-{[3-hydroxy(1-14C)decanoyl]sulfanyl}ethyl)imino]propyl}imino)-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosin3'-(dihydrogenpho sphat) [German] [ACD/IUPAC Name]
5'-O-[({[(3R)-3,4-Dihydroxy-4-({3-hydroxy-3-[(2-{[3-hydroxy(1-14C)decanoyl]sulfanyl}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-{[3-hydroxy(1-14C)decanoyl]sulfanyl}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-[(3-hydroxy-1-oxodecyl-1-14C)thio]ethyl]imino]propyl]imino]-2,2-dimethylbutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen ph osphate) [ACD/Index Name]
3-HYDROXYDECANOYL[1-14C]COENZYME A

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: 1.668
Molar Refractivity: 205.3±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: 81.4±0.5 10-24cm3
Surface Tension: 81.7±7.0 dyne/cm
Molar Volume: 550.6±7.0 cm3

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