Found 1 result

Search term: CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | [(1R,5R,7R,8S)-8-Hydroxy-2-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,3-dioxido-6-oxa-3-thia-2-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate | C12H18N3O10PS

[(1R,5R,7R,8S)-8-Hydroxy-2-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,3-dioxido-6-oxa-3-thia-2-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate

  • Molecular FormulaC12H18N3O10PS
  • Average mass427.324 Da
  • Monoisotopic mass427.045044 Da
  • ChemSpider ID59053885

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,5R,7R,8S)-8-Hydroxy-2-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,3-dioxido-6-oxa-3-thia-2-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(1R,5R,7R,8S)-8-Hydroxy-2-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,3-dioxido-6-oxa-3-thia-2-azabicyclo[3.2.1]oct-5-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(1R,5R,7R,8S)-8-hydroxy-2-methyl-3,3-dioxido-5-[(phosphonooxy)methyl]-6-oxa-3-thia-2-azabicyclo[3.2.1]oct-7-yl]-5-methyl- [ACD/Index Name]
Dihydrogénophosphate de [(1R,5R,7R,8S)-8-hydroxy-2-méthyl-7-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,3-dioxydo-6-oxa-3-thia-2-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: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -4.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 83.7±3.0 dyne/cm
Molar Volume: 241.4±3.0 cm3

Click to predict properties on the Chemicalize site


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