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Search term: c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one | C13H14N5O7P

3-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one

  • Molecular FormulaC13H14N5O7P
  • Average mass383.253 Da
  • Monoisotopic mass383.063000 Da
  • ChemSpider ID25058971

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one [ACD/IUPAC Name]
3-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-on [German] [ACD/IUPAC Name]
3-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one [French] [ACD/IUPAC Name]
Pyrimido[1,2-a]purin-10(3H)-one, 3-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)- [ACD/Index Name]

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

Density: 2.1±0.0 g/cm3
Boiling Point: 834.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 127.2±0.0 kJ/mol
Flash Point: 458.8±0.0 °C
Index of Refraction: 1.869
Molar Refractivity: 83.2±0.0 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 33.0±0.0 10-24cm3
Surface Tension: 117.5±0.0 dyne/cm
Molar Volume: 183.3±0.0 cm3

Click to predict properties on the Chemicalize site


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