Adenosine, 8-bromo-, 2′,3′,5′-triacetate
CAS Registry Number®
31281-86-4
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CAS Name
Adenosine, 8-bromo-, 2′,3′,5′-triacetateMolecular Formula
C16H18BrN5O7Molecular Mass
472.25Cite 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/detail?cas_rn=31281-86-4 (retrieved ) (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