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Substance Name: 8,2'-S-Cycloinosinyl-(3',5')-8,2'-S-cycloadenosine
RN: 50271-86-8
InChIKey: NLMJSNIWSPQVAN-UHFFFAOYSA-N

Molecular Weight

  • 625.538
 
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Names and Synonyms

Name of Substance

  • 8,2'-S-Cycloinosinyl-(3',5')-8,2'-S-cycloadenosine

Synonyms

  • 8,2'-S-Cycloinosinyl-(3',5')-8,2'-S-cycloadenosine hexahydrate
  • I(S)pA(S)

Systematic Name

  • Phosphoric acid, mono((4-amino-6a,7,8,9a-tetrahydro-7-hydroxyfuro(2',3':4,5)thiazolo(3,2-e)purin-8-yl)methyl) mono(3,4,6a,7,8,9a-hexahydro-8-(hydroxymethyl)-4-oxofuro(2',3':4,5)thiazolo(3,2-e)purin-7-yl) ester, (6aS-(6aalpha,7alpha,8beta,9aalpha))-(6'aS-(6'aalpha,7'alpha,8'beta,9'aalpha))-

Registry Numbers

CAS Registry Number

  • 50271-86-8

System Generated Number

  • 0050271868

Structure Descriptors

InChI

1S/C20H20N9O9PS2/c21-13-7-14(23-3-22-13)28-17-11(40-19(28)25-7)9(31)5(36-17)1-27-4-24-15(32)8-16(27)29-18-12(41-20(29)26-8)10(6(2-30)37-18)38-39(33,34)35/h3-6,9-12,17-18,30-31H,1-2H2,(H2,21,22,23)(H2,33,34,35)

InChIKey

NLMJSNIWSPQVAN-UHFFFAOYSA-N

Smiles

P(=O)(O[C@@H]1[C@@H](O[C@@H]2[C@@H]1Sc1nc3c(ncn(c3n21)C[C@@H]1[C@@H]([C@@H]2[C@@H](O1)n1c(nc3c(ncnc13)N)S2)O)=O)CO)(O)O