Adenosine 3′-(trihydrogen diphosphate), P′→5′-ester with adenosine

CAS Registry Number®

14938-28-4

CAS Name

Adenosine 3′-(trihydrogen diphosphate), P′→5′-ester with adenosine

Molecular Formula

C20H26N10O13P2

Molecular Mass

676.43

Cite this Page

Adenosine 3′-(trihydrogen diphosphate), P′→5′-ester with adenosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14938-28-4 (retrieved 2024-11-23) (CAS RN: 14938-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-7(1-31)40-20(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)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

InChIKey

InChIKey=FHISWBUCBBVWGG-XPWFQUROSA-N

SMILES

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

Canonical SMILES

O=P(O)(OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)OP(=O)(O)OC4C(O)C(OC4CO)N5C=NC=6C(=NC=NC65)N

Other Names for this Substance

  • Adenosine 3′-(trihydrogen diphosphate), P′→5′-ester with adenosine
  • Adenosine pyrophosphate, (5′→3′)-ester with adenosine

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