Basic information
- CAS
20847-09-0- Standard SMILES
CC(=O)OCC1OC(n2c(Br)nc3c(N)ncnc32)C(O)C1O.O=C(O)C(F)(F)F- InChIKey
JFFOQEODFIAPHD-UHFFFAOYSA-N- Molecular formula
- C14H15BrF3N5O7
- Average molar mass
- 502.2 g/mol
- Monoisotopic mass
- 501.01069
Names & identifiers
- Preferred name
- [5-(6-Amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate;2,2,2-trifluoroacetic acid
- IUPAC
- [5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate;2,2,2-trifluoroacetic acid
Names & synonyms
20847-09-0NSC118427DTXSID40297831NSC-118427Trifluoroacetic acid--9-(5-O-acetylpentofuranosyl)-8-bromo-9H-purin-6-amine (1/1)
Database identifiers
- CAS
20847-09-0- PubChem CID
- 273293
- DTXSID
DTXSID40297831
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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