ChemSpider 2D Image | [5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate | C37H62N7O17P3S

[5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate

  • Molecular FormulaC37H62N7O17P3S
  • Average mass1001.913 Da
  • Monoisotopic mass1001.315796 Da
  • ChemSpider ID24784740
  • Charge - Charge


More details:






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

palmitoyl CoA
palmitoyl CoA*Palmitoyl-CoA (n-C16:0CoA)*hexadecanoyl CoA*palmityl-CoA*palmitoyl coenzyme A*palmitoyl-CoA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 34
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.40
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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