Ap4A

CAS Registry Number®

5542-28-9
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CAS Name

Ap4A

Molecular Formula

C20H28N10O19P4

Molecular Mass

836.39

Cite this Page

Ap4A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5542-28-9 (retrieved 2024-04-28) (CAS RN: 5542-28-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)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)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

InChIKey

InChIKey=YOAHKNVSNCMZGQ-XPWFQUROSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OP(OP(OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N5C=6C(N=C5)=C(N)N=CN6)(=O)O)(=O)O)(=O)O)(=O)O)[C@H]1O

Canonical SMILES

O=P(O)(OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC=6C(=NC=NC65)N)C(O)C4O

Other Names for this Substance

  • Adenosine 5′-(pentahydrogen tetraphosphate), P′′′→5′-ester with adenosine
  • Adenosine 5′-(pentahydrogen tetraphosphate), 5′→5′-ester with adenosine
  • Adenosine 5′-tetraphosphate, 5′-ester with adenosine
  • 5′-Adenylic acid, 5′→5′-anhydride with adenosine 5′-triphosphate
  • Ap4A

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Deleted or Replaced CAS Registry Numbers

117137-55-0, 128113-54-2, 138172-62-0, 88109-91-5, 166104-03-6, 199995-60-3, 896506-81-3, 896506-80-2

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