Found 1 result

Search term: CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | [(1R,5R,7R,8S)-7-(4-Amino-5-methyl-2-oxo-1(2H)-pyrimidinyl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate | C12H19N4O8P

[(1R,5R,7R,8S)-7-(4-Amino-5-methyl-2-oxo-1(2H)-pyrimidinyl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate

  • Molecular FormulaC12H19N4O8P
  • Average mass378.275 Da
  • Monoisotopic mass378.094055 Da
  • ChemSpider ID59053922

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,5R,7R,8S)-7-(4-Amino-5-methyl-2-oxo-1(2H)-pyrimidinyl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(1R,5R,7R,8S)-7-(4-Amino-5-methyl-2-oxo-1(2H)-pyrimidinyl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[(1R,5R,7R,8S)-8-Hydroxy-7-(4-imino-5-methyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(1R,5R,7R,8S)-8-Hydroxy-7-(4-imino-5-methyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 3,4-dihydro-1-[(1R,5R,7R,8S)-8-hydroxy-3-methyl-5-[(phosphonooxy)methyl]-2,6-dioxa-3-azabicyclo[3.2.1]oct-7-yl]-4-imino-5-methyl- [ACD/Index Name]
2(1H)-Pyrimidinone, 4-amino-1-[(1R,5R,7R,8S)-8-hydroxy-3-methyl-5-[(phosphonooxy)methyl]-2,6-dioxa-3-azabicyclo[3.2.1]oct-7-yl]-5-methyl- [ACD/Index Name]
Dihydrogénophosphate de [(1R,5R,7R,8S)-7-(4-amino-5-méthyl-2-oxo-1(2H)-pyrimidinyl)-8-hydroxy-3-méthyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]méthyle [French] [ACD/IUPAC Name]
Dihydrogénophosphate de [(1R,5R,7R,8S)-8-hydroxy-7-(4-imino-5-méthyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-méthyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.747
Molar Refractivity: 78.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 96.9±7.0 dyne/cm
Molar Volume: 193.3±7.0 cm3

Click to predict properties on the Chemicalize site


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