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Substance Name: P(1)-(Adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
RN: 13457-68-6
InChIKey: WLGHSSFVEUABFP-SLFMBYJQSA-N

Molecular Formula

  • C20-H29-N7-O20-P4

Molecular Weight

  • 811.3741
 
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Names and Synonyms

Name of Substance

  • P(1)-(Adenosine-5')-P(5)-(thymidine-5')-pentaphosphate

Synonym

  • Ap(5)dT

Systematic Name

  • Adenosine 5'-(pentahydrogen tetraphosphate), P'''-5'-ester with thymidine

Registry Numbers

CAS Registry Number

  • 13457-68-6

System Generated Number

  • 0013457686

Structure Descriptors

InChI

1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1

InChIKey

WLGHSSFVEUABFP-SLFMBYJQSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O