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Substance Name: Diadenosine triphosphate
RN: 56432-02-1
InChIKey: IZPYLEWCCHQWIA-XPWFQUROSA-N

Molecular Formula

  • C20-H27-N10-O16-P3

Molecular Weight

  • 756.4093
 
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Names and Synonyms

Name of Substance

  • Diadenosine triphosphate

Synonyms

  • Adenosine(3)triphosphate adenosine
  • Ap3A
  • ApppA
  • P(1),(P3)-Bis(5'-adenosyl)triphosphate

Systematic Name

  • Adenosine 3'-(tetrahydrogen triphosphate), 3'-5'-ester with adenosine

Registry Numbers

CAS Registry Number

  • 56432-02-1

System Generated Number

  • 0056432021

Structure Descriptors

InChI

1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(43-19)2-41-47(35,36)45-49(39,40)46-48(37,38)44-14-7(1-31)42-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

InChIKey

IZPYLEWCCHQWIA-XPWFQUROSA-N

Smiles

Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O