Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-α-D-ribofuranosylpyridinium, inner salt, sodium salt

CAS Registry Number®

108392-03-6
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CAS Name

Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-α-D-ribofuranosylpyridinium, inner salt, sodium salt

Molecular Formula

C21H28N7O17P3.xNa

Cite this Page

Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-α-D-ribofuranosylpyridinium, inner salt, sodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=108392-03-6 (retrieved 2024-03-28) (CAS RN: 108392-03-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-15(31)16(44-46(33,34)35)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)14(30)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/t10-,11-,13-,14-,15-,16-,20+,21-;/m1./s1

InChIKey

InChIKey=BWHZOLRRNZGBAU-VUWULMATSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OC[C@H]4O[C@@H]([C@H](O)[C@@H]4O)[N+]=5C=C(C(N)=O)C=CC5)(=O)[O-])(=O)O)[C@H]1OP(=O)(O)O.[Na]

Canonical SMILES

[Na].O=C(N)C1=CC=C[N+](=C1)C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3OP(=O)(O)O)C(O)C2O

Other Names for this Substance

  • Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-α-D-ribofuranosylpyridinium, inner salt, sodium salt

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