ChemSpider 2D Image | [(4R,5R,7R,8R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-8-hydroxy-1,6-dioxaspiro[3.4]oct-7-yl]methyl dihydrogen phosphate | C11H15N2O9P

[(4R,5R,7R,8R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-8-hydroxy-1,6-dioxaspiro[3.4]oct-7-yl]methyl dihydrogen phosphate

  • Molecular FormulaC11H15N2O9P
  • Average mass350.219 Da
  • Monoisotopic mass350.051514 Da
  • ChemSpider ID58921994

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(4R,5R,7R,8R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-8-hydroxy-1,6-dioxaspiro[3.4]oct-7-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(4R,5R,7R,8R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-8-hydroxy-1,6-dioxaspiro[3.4]oct-7-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(4R,5R,7R,8R)-8-hydroxy-7-[(phosphonooxy)methyl]-1,6-dioxaspiro[3.4]oct-5-yl]- [ACD/Index Name]
Dihydrogénophosphate de [(4R,5R,7R,8R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-8-hydroxy-1,6-dioxaspiro[3.4]oct-7-yl]méthyle [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 95.5±5.0 dyne/cm
Molar Volume: 194.6±5.0 cm3

Click to predict properties on the Chemicalize site


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