2-Bromo-2'-deoxyadenosine

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Basic information

CAS: 89178-21-2
Standard SMILES: Nc1nc(Br)nc2c1ncn2[C@H]1CC(O)[C@@H](CO)O1
InChIKey: UYDKYWTWCPKLJR-YSLANXFLSA-N
Molecular formula: C10H12BrN5O3
Average molar mass: 330.14 g/mol
Monoisotopic mass: 329.01235

Names & identifiers

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

Names & synonyms

2'-deoxy-2-bromoadenosine2-Bromo-2'-deoxyadenosineBrdAdoRefChem:85634ADENOSINE, 2-BROMO-2'-DEOXY-89178-21-2(2R,3S,5R)-5-(6-Amino-2-bromo-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-olNSC 341936BRN 3655269(2R,5R)-5-(6-amino-2-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-olSCHEMBL7198420

Database identifiers

CAS: 89178-21-2
PubChem CID: 55914

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 119 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 338

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Compound notes

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