2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)
Basic information
- CAS
65456-05-5- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1Br- InChIKey
RIBXRFQXWKIHHC-QYYRPYCUSA-N- Molecular formula
- C10H13BrN5O6P
- Average molar mass
- 410.12 g/mol
- Monoisotopic mass
- 408.97868
Names & identifiers
- Preferred name
- 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)
- IUPAC
- [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
- English name
- poly(2'-bromo-2'-deoxyadenylic acid)
- Molecular formula
- C10H13BrN5O6P
- Molecular weight
- 410.12
Names & synonyms
DTXSID009840732'-bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)9-(2-Bromo-2-deoxy-5-O-phosphonopentofuranosyl)-9H-purin-6-aminepoly(2'-bromo-2'-deoxyadenylic acid)
Database identifiers
- CAS
65456-05-5- PubChem CID
- 196434
- DTXSID
DTXSID00984073
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…