5′-Adenylic acid, anhydride with 1,2-dithiolane-3-pentanoic acid (1:1)

CAS Registry Number®

4466-48-2

CAS Name

5′-Adenylic acid, anhydride with 1,2-dithiolane-3-pentanoic acid (1:1)

Molecular Formula

C18H26N5O8PS2

Molecular Mass

535.53

Cite this Page

5′-Adenylic acid, anhydride with 1,2-dithiolane-3-pentanoic acid (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4466-48-2 (retrieved 2024-12-22) (CAS RN: 4466-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10?,11-,14-,15-,18-/m1/s1

InChIKey

InChIKey=QWEGOCJRZOKSOE-NLJBGGCZSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OC(CCCCC4CCSS4)=O)(=O)O)[C@H]1O

Canonical SMILES

O=C(OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)CCCCC4SSCC4

Other Names for this Substance

  • 5′-Adenylic acid, anhydride with 1,2-dithiolane-3-pentanoic acid (1:1)
  • 1,2-Dithiolane-3-valeric acid, anhydride with 5′-adenylic acid
  • 5′-Adenylic acid, monoanhydride with 1,2-dithiolane-3-pentanoic acid
  • α-Lipoic acid, anhydride with 5′-adenylic acid
  • 1,2-Dithiolane, 5′-adenylic acid deriv.

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