Adenosine, 8-bromo-, 2′,3′,5′-triacetate

CAS Registry Number®

31281-86-4
No image available.

CAS Name

Adenosine, 8-bromo-, 2′,3′,5′-triacetate

Molecular Formula

C16H18BrN5O7

Molecular Mass

472.25

Cite this Page

Adenosine, 8-bromo-, 2′,3′,5′-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=31281-86-4 (retrieved 2024-04-28) (CAS RN: 31281-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-189 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H18BrN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-14-10(21-16(22)17)13(18)19-5-20-14/h5,9,11-12,15H,4H2,1-3H3,(H2,18,19,20)/t9-,11-,12-,15-/m1/s1

InChIKey

InChIKey=HRCLVNMFELGYPE-SDBHATRESA-N

SMILES

BrC=1N(C=2C(N1)=C(N)N=CN2)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O3

Canonical SMILES

O=C(OCC1OC(N2C(Br)=NC=3C(=NC=NC32)N)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • Adenosine, 8-bromo-, 2′,3′,5′-triacetate
  • 2′,3′,5′-Tri-O-acetyl-8-bromoadenosine
  • 8-Bromo-2′,3′,5′-tri-O-acetyladenosine
  • 8-Bromoadenosine 2′,3′,5′-triacetate
  • NSC 79212

Deleted or Replaced CAS Registry Numbers

374571-50-3

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser