4′,5′-Didehydro-1′-C-(hydroxymethyl)adenosine

CAS Registry Number®

2004-04-8

CAS Name

4′,5′-Didehydro-1′-C-(hydroxymethyl)adenosine

Molecular Formula

C11H13N5O4

Molecular Mass

279.25

Cite this Page

4′,5′-Didehydro-1′-C-(hydroxymethyl)adenosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2004-04-8 (retrieved 2024-11-24) (CAS RN: 2004-04-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-162 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8-,11-/m1/s1

InChIKey

InChIKey=UZSSGAOAYPICBZ-SOCHQFKDSA-N

SMILES

C(O)[C@@]1([C@H](O)[C@H](O)C(=C)O1)N2C=3C(N=C2)=C(N)N=CN3

Canonical SMILES

OCC1(OC(=C)C(O)C1O)N2C=NC=3C(=NC=NC32)N

Other Names for this Substance

  • Adenosine, 4′,5′-didehydro-1′-C-(hydroxymethyl)-
  • Adenine, 9-(6-deoxy-β-D-erythro-hex-5-enulofuranosyl)-
  • 9H-Purin-6-amine, 9-(6-deoxy-β-D-erythro-hex-5-en-2-ulofuranosyl)-
  • Decoyinin
  • Angustomycin A

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Deleted or Replaced CAS Registry Numbers

1373-27-9, 21735-70-6

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