(2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
15830-78-1- Standard SMILES
Nc1ncnc2c1nc(Br)n2[C@H]1O[C@H](CO)[C@H](O)[C@H]1O- InChIKey
VJUPMOPLUQHMLE-ZUAPJGPHSA-N- Molecular formula
- C10H12BrN5O4
- Average molar mass
- 346.14 g/mol
- Monoisotopic mass
- 345.00727
Names & identifiers
- Preferred name
- (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- (2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
8-bromo-9-pentofuranosyl-9h-purin-6-amineUNII-32SY6L5LHT(2S,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolDTXSID709358908-Bromo-9-alpha-D-xylofuranosyl-9H-purin-6-amine
Database identifiers
- CAS
15830-78-1- PubChem CID
- 130421
- DTXSID
DTXSID70935890
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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