Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5′→5′-ester with inosine 5′-(trihydrogen pyrophosphate)-

CAS Registry Number®

13586-58-8

CAS Name

Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5′→5′-ester with inosine 5′-(trihydrogen pyrophosphate)-

Molecular Formula

C21H27N6O15P2

Cite this Page

Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5′→5′-ester with inosine 5′-(trihydrogen pyrophosphate)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13586-58-8 (retrieved 2024-11-23) (CAS RN: 13586-58-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

InChIKey=DGVSIBCCYUVRNA-NNYOXOHSSA-O

SMILES

O[C@H]1[C@H](N2C3=C(N=C2)C(=O)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=C1N=CNC2=C1N=CN2C3OC(COP(=O)(O)OP(=O)(O)OCC4OC([N+]=5C=CC=C(C5)C(=O)N)C(O)C4O)C(O)C3O

Other Names for this Substance

  • Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5′→5′-ester with inosine 5′-(trihydrogen pyrophosphate)-

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