8-Bromo-2'-deoxyadenosine

HCID 96547

Basic information

CAS
1294478-70-8
Standard SMILES
Nc1ncnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
NJBIVXMQFIQOGE-KVQBGUIXSA-N
Molecular formula
C10H12BrN5O3
Average molar mass
330.14 g/mol
Monoisotopic mass
329.01235

Names & identifiers

Preferred name
8-Bromo-2'-deoxyadenosine
IUPAC
(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Names & synonyms

8-Bromo-2'-deoxyadenosine14985-44-52'-Deoxy-8-bromoadenosine8-B-2-DARefChem:106949(2R,3S,5R)-5-(6-Amino-8-bromo-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-olAdenosine, 8-bromo-2'-deoxy-8-Bromo-2'-deoxy-D-adenosineMFCD016309708-Bromo-2??-deoxyadenosineSCHEMBL440599(2R,3S,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Show more names
HG1031AKOS024258314AC-32298AS-59393C10H12BrN5O3(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-olNSC 79220Adenosine,8-bromo-2'-deoxy-

Database identifiers

CAS
1294478-70-8、14985-44-5
PubChem CID
96547
ChEMBL
CHEMBL6161642
EC Number
141-407-4
Nikkaji
J981.590B

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
19

Related reactions

10 records

Compound notes

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