ChemSpider 2D Image | (3-{[2-Amino-3-(4-methoxyphenyl)propanoyl]amino}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxytetrahydro-2-furanyl)methyl dihydrogen phosphate | C22H30N7O8P

(3-{[2-Amino-3-(4-methoxyphenyl)propanoyl]amino}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxytetrahydro-2-furanyl)methyl dihydrogen phosphate

  • Molecular FormulaC22H30N7O8P
  • Average mass551.490 Da
  • Monoisotopic mass551.189331 Da
  • ChemSpider ID2566202

More details:

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

(3-{[2-Amino-3-(4-methoxyphenyl)propanoyl]amino}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxytetrahydro-2-furanyl)methyl dihydrogen phosphate [ACD/IUPAC Name]
(3-{[2-Amino-3-(4-methoxyphenyl)propanoyl]amino}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxytetrahydro-2-furanyl)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[3-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3-deoxy-5-O-phosphonopentofuranosyl]-N,N-dimethyl- [ACD/Index Name]
Dihydrogénophosphate de (3-{[2-amino-3-(4-méthoxyphényl)propanoyl]amino}-5-[6-(diméthylamino)-9H-purin-9-yl]-4-hydroxytétrahydro-2-furanyl)méthyle [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: 1.713
Molar Refractivity: 130.5±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 73.4±7.0 dyne/cm
Molar Volume: 333.0±7.0 cm3

Click to predict properties on the Chemicalize site


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