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Search term: Nc1nc(=O)n(cc1Cl)[C@H]1CC(=O)[C@@H](COP(O)(O)=O)O1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | [(2R,5R)-5-(4-Amino-5-chloro-2-oxo-1(2H)-pyrimidinyl)-3-oxotetrahydro-2-furanyl]methyl dihydrogen phosphate | C9H11ClN3O7P

[(2R,5R)-5-(4-Amino-5-chloro-2-oxo-1(2H)-pyrimidinyl)-3-oxotetrahydro-2-furanyl]methyl dihydrogen phosphate

  • Molecular FormulaC9H11ClN3O7P
  • Average mass339.626 Da
  • Monoisotopic mass339.002319 Da
  • ChemSpider ID59051549

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2R,5R)-5-(4-Amino-5-chlor-2-oxo-1(2H)-pyrimidinyl)-3-oxotetrahydro-2-furanyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[(2R,5R)-5-(4-Amino-5-chloro-2-oxo-1(2H)-pyrimidinyl)-3-oxotetrahydro-2-furanyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 4-amino-5-chloro-1-[(2R,5R)-tetrahydro-4-oxo-5-[(phosphonooxy)methyl]-2-furanyl]- [ACD/Index Name]
Dihydrogénophosphate de [(2R,5R)-5-(4-amino-5-chloro-2-oxo-1(2H)-pyrimidinyl)-3-oxotétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 614.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 325.5±34.3 °C
Index of Refraction: 1.755
Molar Refractivity: 66.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.23
ACD/LogD (pH 5.5): -6.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 107.1±7.0 dyne/cm
Molar Volume: 162.0±7.0 cm3

Click to predict properties on the Chemicalize site


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