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Substance Name: 9-(2-Deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine
RN: 130699-78-4
InChIKey: KZPYIXYWYDDYGF-XLPZGREQSA-N

Molecular Formula

  • C12-H19-N6-O12-P3

Molecular Weight

  • 532.2341
 
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Names and Synonyms

Name of Substance

  • 9-(2-Deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine

Synonym

  • 6edDTP

Systematic Name

  • 9H-Purin-2-amine, 6-(1-aziridinyl)-9-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-

Registry Numbers

CAS Registry Number

  • 130699-78-4

System Generated Number

  • 0130699784

Structure Descriptors

InChI

1S/C12H19N6O12P3/c13-12-15-10(17-1-2-17)9-11(16-12)18(5-14-9)8-3-6(19)7(28-8)4-27-32(23,24)30-33(25,26)29-31(20,21)22/h5-8,19H,1-4H2,(H,23,24)(H,25,26)(H2,13,15,16)(H2,20,21,22)/t6-,7+,8+/m0/s1

InChIKey

KZPYIXYWYDDYGF-XLPZGREQSA-N

Smiles

Nc1nc(N2CC2)c3ncn([C@H]4C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4)c3n1