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Technology Process of [2-(Hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [2-hydroxy-4-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)cyclopentyl]methyl hydrogen phosphate

[2-(Hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [2-hydroxy-4-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)cyclopentyl]methyl hydrogen phosphate

Base Information
  • Chemical Name:[2-(Hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [2-hydroxy-4-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)cyclopentyl]methyl hydrogen phosphate
  • CAS No.:151165-76-3
  • Molecular Formula:C21H29 N4 O10 P S
  • Molecular Weight:560.51
  • Hs Code.:
  • DSSTox Substance ID:DTXSID30934182
  • Mol file:151165-76-3.mol
[2-(Hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [2-hydroxy-4-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)cyclopentyl]methyl hydrogen phosphate

Synonyms:Sp-TP(Me)sT;thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate;TP(Me)sT

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Chemical Property of [2-(Hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [2-hydroxy-4-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)cyclopentyl]methyl hydrogen phosphate
Chemical Property:
  • PKA:4.87±0.40(Predicted) 
  • PSA：244.07000 
  • Density:1.57±0.1 g/cm3(Predicted) 
  • LogP:0.20530 
  • XLogP3:-1.9
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:11
  • Rotatable Bond Count:8
  • Exact Mass:560.13420131
  • Heavy Atom Count:37
  • Complexity:1100
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=CN(C(=O)NC1=S)C2CC(C(C2)O)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)C
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