Basic information
- Standard SMILES
CC(C)C[C@H]1CC(=O)N(C2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1- InChIKey
BSKMCHXCKWARJQ-RZAKBIKASA-N- Molecular formula
- C20H35NO11
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- (S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one
- IUPAC
- (4S)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one
Names & synonyms
SCHEMBL5976156BSKMCHXCKWARJQ-RZAKBIKASA-N(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5 -trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one
Database identifiers
- PubChem CID
- 69625525
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 637
Related reactions
1 records
Compound notes
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