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Substance Name: P(1)-(Lin-benzo-5'-adenosyl)-P(5)-(5'-adenosyl)pentaphosphate
RN: 72040-61-0
InChIKey: QIDBBNOURHTYHM-YDKVLQLQSA-N

Molecular Weight

  • 966.427
 
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Names and Synonyms

Name of Substance

  • P(1)-(Lin-benzo-5'-adenosyl)-P(5)-(5'-adenosyl)pentaphosphate

Systematic Name

  • Adenosine 5'-(hexahydrogen-pentaphosphate), P''''-5'-ester with 3-beta-D-ribofuranosyl-3H-imidazo(4,5-g)quinazolin-8-amine

Registry Numbers

CAS Registry Number

  • 72040-61-0

System Generated Number

  • 0072040610

Structure Descriptors

InChI

1S/C24H31N10O22P5/c25-20-9-1-11-12(2-10(9)27-5-28-20)33(7-31-11)23-18(37)16(35)13(51-23)3-49-57(39,40)53-59(43,44)55-61(47,48)56-60(45,46)54-58(41,42)50-4-14-17(36)19(38)24(52-14)34-8-32-15-21(26)29-6-30-22(15)34/h1-2,5-8,13-14,16-19,23-24,35-38H,3-4H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,25,27,28)(H2,26,29,30)/t13-,14-,16-,17-,18-,19-,23-,24-/m1/s1

InChIKey

QIDBBNOURHTYHM-YDKVLQLQSA-N

Smiles

C(O[P@@](O[P@@](O[P@@](O[P@@](O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2cc3c(ncnc3cc12)N)O)O)(=O)O)(=O)O)(=O)O)(=O)O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c(N)ncnc12