5′-Adenylic acid, anhydride with acetic acid (1:1)

CAS Registry Number®

13015-87-7

CAS Name

5′-Adenylic acid, anhydride with acetic acid (1:1)

Molecular Formula

C12H16N5O8P

Molecular Mass

389.26

Cite this Page

5′-Adenylic acid, anhydride with acetic acid (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13015-87-7 (retrieved 2024-12-22) (CAS RN: 13015-87-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1

InChIKey

InChIKey=UBPVOHPZRZIJHM-WOUKDFQISA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 5′-Adenylic acid, anhydride with acetic acid (1:1)
  • 5′-Adenylic acid, monoanhydride with acetic acid
  • Acetyl adenylate

CAS INSIGHTSTM
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