ChemSpider 2D Image | adenosine, 5'-O-[hydroxy[[hydroxy(3-hydroxy-2,2-dimethyl-4,8,14-trioxo-13-oxa-12-thia-5,9-diazapentadec-1-yl)phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate) | C23H38N7O17P3S

adenosine, 5'-O-[hydroxy[[hydroxy(3-hydroxy-2,2-dimethyl-4,8,14-trioxo-13-oxa-12-thia-5,9-diazapentadec-1-yl)phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate)

  • Molecular FormulaC23H38N7O17P3S
  • Average mass809.571 Da
  • Monoisotopic mass809.125793 Da
  • ChemSpider ID24534272

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(3-hydroxy-2,2-dimethyl-4,8,14-trioxo-13-oxa-12-thia-5,9-diazapentadec-1-yl)phosphinyl]oxy]phosphinyl]-3-O-phosphono-β-L-lyxofuranosyl]- [ACD/Index Name]
adenosine, 5'-O-[hydroxy[[hydroxy(3-hydroxy-2,2-dimethyl-4,8,14-trioxo-13-oxa-12-thia-5,9-diazapentadec-1-yl)phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate)
Acetyl-CoA [Wiki]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 167.6±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -4.14
ACD/LogD (pH 5.5): -10.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 418 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 98.7±7.0 dyne/cm
Molar Volume: 425.3±7.0 cm3

Click to predict properties on the Chemicalize site


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