α-NAD

CAS Registry Number®

7298-93-3

CAS Name

α-NAD

Molecular Formula

C21H27N7O14P2

Cite this Page

α-NAD.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7298-93-3 (retrieved 2024-11-21) (CAS RN: 7298-93-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1

InChIKey

InChIKey=BAWFJGJZGIEFAR-OPDHFMQKSA-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]1O

Canonical SMILES

O=C(N)C1=CC=C[N+](=C1)C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3O)C(O)C2O

Other Names for this Substance

  • β-D-Xylofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-, inner salt, 5-[3-(aminocarbonyl)-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-α-D-ribofuranosyl]pyridiniumyl]
  • Pyridinium, 3-carbamoyl-1-α-D-ribofuranosyl-, hydroxide, 5′→5′-ester with adenosine 5′-(trihydrogen pyrophosphate), inner salt
  • Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-(aminocarbonyl)-1-α-D-ribofuranosylpyridinium hydroxide, inner salt
  • 3-Carbamoyl-1-α-D-ribofuranosylpyridinium hydroxide, 5′-ester with adenosine 5′-pyrophosphate, inner salt
  • 3-Carbamoyl-1-α-D-ribofuranosylpyridinium hydroxide, 5′-ester with adenosine 5′-diphosphate, inner salt

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration