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Search term: c1cc(cnc1)C(=O)CCCOc2c3c(nc(n2)N)n(cn3)C4CC(C(O4)COP(=O)(O)O)O (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | 9-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-[4-oxo-4-(3-pyridinyl)butoxy]-9H-purin-2-amine | C19H23N6O8P

9-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-[4-oxo-4-(3-pyridinyl)butoxy]-9H-purin-2-amine

  • Molecular FormulaC19H23N6O8P
  • Average mass494.395 Da
  • Monoisotopic mass494.131500 Da
  • ChemSpider ID59051917

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

9-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-[4-oxo-4-(3-pyridinyl)butoxy]-9H-purin-2-amine [ACD/IUPAC Name]
9-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-[4-oxo-4-(3-pyridinyl)butoxy]-9H-purin-2-amin [German] [ACD/IUPAC Name]
9-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-6-[4-oxo-4-(3-pyridinyl)butoxy]-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 9-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-[4-oxo-4-(3-pyridinyl)butoxy]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 909.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 503.6±37.1 °C
Index of Refraction: 1.755
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 87.8±7.0 dyne/cm
Molar Volume: 276.8±7.0 cm3

Click to predict properties on the Chemicalize site


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