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Substance Name: Triphosphoric acid, P-((5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-
RN: 132062-43-2
InChIKey: NETYDCGCPXCMEZ-TVQRCGJNSA-N

Molecular Formula

  • C13-H19-N2-O11-P3

Molecular Weight

  • 472.2181
 
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Names and Synonyms

Synonyms

  • 1,3,7-Trideaza-2',3'-dideoxy-5'-triphosphateadenosine
  • 1,3,7-Trideaza-ddATP

Systematic Name

  • Triphosphoric acid, P-((5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 132062-43-2

System Generated Number

  • 0132062432

Structure Descriptors

InChI

1S/C13H19N2O11P3/c14-11-2-1-3-12-10(11)6-7-15(12)13-5-4-9(24-13)8-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-3,6-7,9,13H,4-5,8,14H2,(H,19,20)(H,21,22)(H2,16,17,18)/t9-,13+/m0/s1

InChIKey

NETYDCGCPXCMEZ-TVQRCGJNSA-N

Smiles

c1cc(c2ccn(c2c1)[C@H]3CC[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N