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Basic information
- CAS
124357-34-2- Standard SMILES
Nc1ncnc2c1nc(SCC(=O)C(=O)CBr)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O- InChIKey
JGDFZHBKKZIZEX-QYVSTXNMSA-N- Molecular formula
- C14H15BrN5O8PS
- Average molar mass
- 524.246 g/mol
- Monoisotopic mass
- 522.95623217
Names & identifiers
- Preferred name
- 1-{[6-Amino-9-(2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-9H-purin-8-yl]sulfanyl}-4-bromobutane-2,3-dione
- IUPAC
- 1-({6-Amino-9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purin-8-yl}sulfanyl)-4-bromobutane-2,3-dione
- English name
- 8-((4-bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate
- Molecular formula
- C14H15BrN5O8PS
- Molecular weight
- 524.24
Names & synonyms
8-((4-BROMO-2,3-DIOXOBUTYL)THIO)-ADENOSINE 3',5'-...8-((4-bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphateAdenosine, 8-[(4-bromo-2,3-dioxobutyl)thio]-, cyclic 3',5'-(hydrogen phosphate) (9CI)
Database identifiers
- CAS
124357-34-2- PubChem CID
- 164151
- DTXSID
DTXSID10924788
Properties
Physicochemical properties
- Boiling point
- 778.1 · 778.1±70.0 °C(Predicted)
- Density
- 2.39 · 2.39±0.1 g/cm3(Predicted)
- pka
- 0.96 · 0.96±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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