Basic information
- CAS
58048-35-4- Standard SMILES
OCC1OC(n2cc(Br)c3c2ncn2nnnc32)C(O)C1O- InChIKey
QZFLLLHKLBVSNN-UHFFFAOYSA-N- Molecular formula
- C11H11BrN6O4
- Average molar mass
- 371.15 g/mol
- Monoisotopic mass
- 370.00252
Names & identifiers
- Preferred name
- 2-(12-Bromo-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(12-bromo-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC22725058048-35-4DTXSID30310447NSC-2272509-Bromo-7-pentofuranosyl-7H-pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine
Database identifiers
- CAS
58048-35-4- PubChem CID
- 313357
- DTXSID
DTXSID30310447
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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