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[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;azane

Base Information
  • Chemical Name:[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;azane
  • CAS No.:85221-12-1
  • Molecular Formula:C19H25N7O14P2S
  • Molecular Weight:669.4528
  • Hs Code.:
  • DSSTox Substance ID:DTXSID70536028
  • NSC Number:358078
[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;azane

Synonyms:85221-12-1;DTXSID70536028;NSC358078;NSC-358078;[5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate--ammonia (1/1) (non-preferred name)

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Chemical Property of [[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;azane
Chemical Property:
  • Vapor Pressure:0mmHg at 25°C 
  • Refractive Index:1.924 
  • Boiling Point:1110.2°Cat760mmHg 
  • Flash Point:625.2°C 
  • Density:2.37g/cm3 
  • Hydrogen Bond Donor Count:9
  • Hydrogen Bond Acceptor Count:21
  • Rotatable Bond Count:11
  • Exact Mass:686.09209277
  • Heavy Atom Count:44
  • Complexity:1120
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SDS file from LookChem

Useful:
  • Canonical SMILES:C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N.N
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