5-(6-Aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
Basic information
- CAS
65446-56-2- Standard SMILES
Nc1ncnc2c1ncn2C1OC(CO)C(O)C1Br- InChIKey
SBSSUAKDMQSKOH-UHFFFAOYSA-N- Molecular formula
- C10H12BrN5O3
- Average molar mass
- 330.14 g/mol
- Monoisotopic mass
- 329.01235
Names & identifiers
- Preferred name
- 5-(6-Aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
- IUPAC
- 5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
Names & synonyms
NSC2893555-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-olDTXSID00984058ZINC01565267NSC-2893559-(2-Bromo-2-deoxypentofuranosyl)-9H-purin-6-amine5-(6-Amino-9H-purin-9-yl)-4-bromo-2-(hydroxymethyl)tetrahydrofuran-3-ol
Database identifiers
- CAS
65446-56-2- PubChem CID
- 324310
- DTXSID
DTXSID00984058
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 119 Ų
- 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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