3-Hydroxy-4-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-piperidin-2-one
Basic information
- CAS
284045-95-0- Standard SMILES
O=C1NCC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O- InChIKey
BHZMHPRIYUPDCT-BQWZOORQSA-N- Molecular formula
- C10H17NO7
- Average molar mass
- 263.24 g/mol
- Monoisotopic mass
- 263.10050188
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-piperidin-2-one
- IUPAC
- (3S,4R)-3-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one
Names & synonyms
3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-PIPERIDIN-2-ONE284045-95-0RefChem:279855(3S,4R)-3-hydroxy-4-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxy)piperidin-2-one(3S,4R)-3-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside1od8XIL1j01DB03717PD059503NS00070047
Database identifiers
- CAS
284045-95-0- PubChem CID
- 446394
- Nikkaji
- J1.328.433D
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
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Compound notes
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