Inosine 5′-(trihydrogen diphosphate), 6-thio-

CAS Registry Number®

805-63-0

CAS Name

Inosine 5′-(trihydrogen diphosphate), 6-thio-

Molecular Formula

C10H14N4O10P2S

Molecular Mass

444.25

Cite this Page

Inosine 5′-(trihydrogen diphosphate), 6-thio-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=805-63-0 (retrieved 2024-11-24) (CAS RN: 805-63-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1

InChIKey

InChIKey=MHJZYMCYLFGDRD-KQYNXXCUSA-N

SMILES

O[C@H]1[C@H](N2C3=C(N=C2)C(=S)N=CN3)O[C@H](COP(OP(=O)(O)O)(=O)O)[C@H]1O

Canonical SMILES

O=P(O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=S)N=CNC32)C(O)C1O

Other Names for this Substance

  • Inosine 5′-(trihydrogen diphosphate), 6-thio-
  • 9H-Purine-6-thiol, 9-β-D-ribofuranosyl-, 5′-pyrophosphate
  • 6-Mercapto-9-β-D-ribofuranosylpurine 5′-diphosphate
  • 6-Mercaptopurine ribonucleoside 5′-diphosphate

CAS INSIGHTSTM
Hourglass and a clock