Ap3A

CAS Registry Number®

5959-90-0

CAS Name

Ap3A

Molecular Formula

C20H27N10O16P3

Molecular Mass

756.41

Cite this Page

Ap3A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=158700-26-6 (retrieved 2024-11-25) (CAS RN: 5959-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QCICUPZZLIQAPA-XPWFQUROSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(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)[C@H]1O

Canonical SMILES

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

Other Names for this Substance

  • Adenosine 5′-(tetrahydrogen triphosphate), P′′→5′-ester with adenosine
  • Adenosine 5′-triphosphate, 5′-ester with adenosine
  • P1,P3-Diadenosine-5′ triphosphate
  • ApppA
  • Ap3A

View All

Deleted or Replaced CAS Registry Numbers

158700-26-6

CAS INSIGHTSTM
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