5′-Adenylic acid, compd. with 6-amino-2-methyl-2-heptanol (1:1)

CAS Registry Number®

57249-13-5

CAS Name

5′-Adenylic acid, compd. with 6-amino-2-methyl-2-heptanol (1:1)

Molecular Formula

C10H14N5O7P.C8H19NO

Cite this Page

5′-Adenylic acid, compd. with 6-amino-2-methyl-2-heptanol (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57249-13-5 (retrieved 2024-12-23) (CAS RN: 57249-13-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H14N5O7P.C8H19NO/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;1-7(9)5-4-6-8(2,3)10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);7,10H,4-6,9H2,1-3H3/t4-,6-,7-,10-;/m1./s1

InChIKey

InChIKey=WKKHSEQYFOKDNZ-MCDZGGTQSA-N

SMILES

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

Canonical SMILES

O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O.OC(C)(C)CCCC(N)C

Other Names for this Substance

  • 5′-Adenylic acid, compd. with 6-amino-2-methyl-2-heptanol (1:1)
  • 2-Heptanol, 6-amino-2-methyl-, 5′-adenylate (1:1) (salt)
  • 5′-AMP heptaminol salt

CAS INSIGHTSTM
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