Basic information
- Standard SMILES
CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C(C)O)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1- InChIKey
OJMMVQQUTAEWLP-ZUWRKQLMSA-N- Molecular formula
- C18H34N2O6S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.21375798
Names & identifiers
- Preferred name
- (2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
Names & synonyms
(2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide12768-69-3DTXSID50925936OJMMVQQUTAEWLP-ZUWRKQLMSA-NMethyl 6,8-dideoxy-6-({hydroxy[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]methylidene}amino)-1-thio-beta-L-altro-octopyranosideMethyl 6,8-dideoxy-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside
Database identifiers
- CAS
12768-69-3- PubChem CID
- 9063
- DTXSID
DTXSID50925936
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 498
Related reactions
1 records
Linked notes
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