Found 1 result

Search term: CC(=O)N(c1ccccc1)c2nc3c(n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC(=NC3=O)N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 8-[Acetyl(phenyl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate) | C18H21N6O8P

8-[Acetyl(phenyl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC18H21N6O8P
  • Average mass480.368 Da
  • Monoisotopic mass480.115845 Da
  • ChemSpider ID59052984

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

8-[Acetyl(phenyl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
8-[Acetyl(phenyl)amino]-2'-desoxyguanosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
8-[Acétyl(phényl)amino]-2'-désoxyguanosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Guanosine, 8-(acetylphenylamino)-2'-deoxy-, 5'-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 849.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.5±37.1 °C
Index of Refraction: 1.791
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 95.2±7.0 dyne/cm
Molar Volume: 256.7±7.0 cm3

Click to predict properties on the Chemicalize site


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