[(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] hydrogen sulfate
Basic information
- CAS
10356-99-7- Standard SMILES
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COS(=O)(=O)O- InChIKey
NHZWETQZLORZIR-LXGUWJNJSA-N- Molecular formula
- C8H15NO9S
- Average molar mass
- 301.27 g/mol
- Monoisotopic mass
- 301.04675223
Names & identifiers
- Preferred name
- [(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] hydrogen sulfate
- IUPAC
- [(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] hydrogen sulfate
Names & synonyms
[(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] hydrogen sulfate10356-99-72-Deoxy-2-[(1-hydroxyethylidene)amino]-6-O-sulfohexoseSCHEMBL755846DTXSID60908472NS001237552-Deoxy-2-[(1-hydroxyethylidene)amino]-6-O-sulfo-D-glucose
Database identifiers
- CAS
10356-99-7- PubChem CID
- 160936
- DTXSID
DTXSID60908472- Nikkaji
- J1.034.398D
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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