ChemSpider 2D Image | [1-({5-[6-(Dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl}amino)-3-(4-methoxyphenyl)-1-oxo-2-propanyl]phosphoramidic acid | C22H30N7O8P

[1-({5-[6-(Dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl}amino)-3-(4-methoxyphenyl)-1-oxo-2-propanyl]phosphoramidic acid

  • Molecular FormulaC22H30N7O8P
  • Average mass551.490 Da
  • Monoisotopic mass551.189331 Da
  • ChemSpider ID2577297

More details:

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

[1-({5-[6-(Dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl}amino)-3-(4-methoxyphenyl)-1-oxo-2-propanyl]phosphoramidic acid [ACD/IUPAC Name]
[1-({5-[6-(Dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl}amino)-3-(4-methoxyphenyl)-1-oxo-2-propanyl]phosphoramidsäure [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[3-deoxy-3-[[3-(4-methoxyphenyl)-1-oxo-2-(phosphonoamino)propyl]amino]pentofuranosyl]-N,N-dimethyl- [ACD/Index Name]
Acide [1-({5-[6-(diméthylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyl}amino)-3-(4-méthoxyphényl)-1-oxo-2-propanyl]phosphoramidique [French] [ACD/IUPAC Name]

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: 1.721
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -4.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 74.2±7.0 dyne/cm
Molar Volume: 331.7±7.0 cm3

Click to predict properties on the Chemicalize site


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