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Substance Name: ApApG
RN: 2099-88-9
InChIKey: JHTGPLDEBYQXJH-OERBZGCCSA-N

Molecular Formula

  • C30-H37-N15-O17-P2

Molecular Weight

  • 941.6583
 
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Names and Synonyms

Name of Substance

  • ApApG

Synonym

  • Adenylyl-(3'-5')-adenylyl-(3'-5')-guanosine

Systematic Name

  • Guanosine, adenylyl-(3'-5')-adenylyl-(3'-5')-

Registry Numbers

CAS Registry Number

  • 2099-88-9

System Generated Number

  • 0002099889

Structure Descriptors

InChI

1S/C30H37N15O17P2/c31-21-11-23(36-3-34-21)43(5-38-11)27-15(47)14(46)8(58-27)1-9(18-16(48)20(62-64(54,55)56)29(60-18)45-7-40-13-25(45)41-30(33)42-26(13)50)57-2-10-19(61-63(51,52)53)17(49)28(59-10)44-6-39-12-22(32)35-4-37-24(12)44/h3-10,14-20,27-29,46-49H,1-2H2,(H2,31,34,36)(H2,32,35,37)(H2,51,52,53)(H2,54,55,56)(H3,33,41,42,50)/t8-,9?,10-,14-,15-,16-,17-,18-,19-,20-,27-,28-,29-/m1/s1

InChIKey

JHTGPLDEBYQXJH-OERBZGCCSA-N

Smiles

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CC([C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5nc([nH]c6=O)N)OP(=O)(O)O)O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)OP(=O)(O)O)O)O)N