Adenosine, 2-bromo-, 5'-sulfamate
Basic information
- CAS
117515-80-7- Standard SMILES
Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O- InChIKey
VPWOATHUXGHCPI-UUOKFMHZSA-N- Molecular formula
- C10H13BrN6O6S
- Average molar mass
- 425.22 g/mol
- Monoisotopic mass
- 423.98007
Names & identifiers
- Preferred name
- Adenosine, 2-bromo-, 5'-sulfamate
- IUPAC
- [(2R,3S,4R,5R)-5-(6-amino-2-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Names & synonyms
117515-80-72-bromo-5'-o-sulfamoyladenosineAdenosine, 2-bromo-, 5'-sulfamateCHEMBL35862755'-O-sulfamoyl 2-bromoadenosineDTXSID609224512-Bromo-9-(5-O-sulfamoylpentofuranosyl)-9H-purin-6-amine
Database identifiers
- CAS
117515-80-7- PubChem CID
- 189495
- DTXSID
DTXSID60922451- ChEMBL
CHEMBL3586275- Nikkaji
- J3.494.321D
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 565
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Related reactions
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Compound notes
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