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Substance Name: Deoxy(cytidylyl-guanylyl-thymidylic acid)
RN: 71002-61-4
InChIKey: YOBFKXOSKVFYQU-JMHRVALTSA-N

Molecular Formula

  • C29-H38-N10-O17-P2

Molecular Weight

  • 860.62
 
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Names and Synonyms

Name of Substance

  • Deoxy(cytidylyl-guanylyl-thymidylic acid)

Synonym

  • d(Cgt)

Systematic Name

  • Thymidine, 2'-deoxycytidylyl-(3'-5')-2'-deoxyguanylyl-(3'-5')-

Registry Numbers

CAS Registry Number

  • 71002-61-4

System Generated Number

  • 0071002614

Structure Descriptors

InChI

1S/C29H38N10O17P2/c1-12-7-38(29(45)36-25(12)42)20-4-13(41)17(53-20)9-50-57(46,47)56-15-6-22(39-11-32-23-24(39)34-27(31)35-26(23)43)54-18(15)10-51-58(48,49)55-14-5-21(52-16(14)8-40)37-3-2-19(30)33-28(37)44/h2-3,7,11,13-18,20-22,40-41H,4-6,8-10H2,1H3,(H,46,47)(H,48,49)(H2,30,33,44)(H,36,42,45)(H3,31,34,35,43)/t13-,14?,15-,16+,17+,18+,20+,21+,22?/m0/s1

InChIKey

YOBFKXOSKVFYQU-JMHRVALTSA-N

Smiles

n1c(c2nc[n@@](c2[nH]c1N)[C@H]1O[C@@H]([C@H](C1)O[P@@](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1c([nH]c(c(c1)C)=O)=O)CO[P@@](O[C@@H]1[C@H](O[C@H](n2c(nc(cc2)N)=O)C1)CO)(=O)O)=O