Methyl 7-chloro-6,7,8-trideoxy-2-O-hexadecanoyl-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside--hydrogen chloride (1/1)
Basic information
- CAS
34850-73-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC1[C@@H](SC)OC(C(NC(=O)[C@@H]2C[C@@H](CCC)CN2C)C(C)Cl)[C@H](O)[C@@H]1O.Cl- InChIKey
GTNDZRUWKHDICY-VRDMNUDUSA-N- Molecular formula
- C34H64Cl2N2O6S
- Average molar mass
- 699.9 g/mol
- Monoisotopic mass
- 698.3862143
Names & identifiers
- Preferred name
- Methyl 7-chloro-6,7,8-trideoxy-2-O-hexadecanoyl-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside--hydrogen chloride (1/1)
- IUPAC
- [(2R,4S,5R)-6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate;hydrochloride
Names & synonyms
Methyl 7-chloro-6,7,8-trideoxy-2-O-hexadecanoyl-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside--hydrogen chloride (1/1)[(2R,4S,5R)-6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate;hydrochlorideDTXSID3095634434850-73-2Methyl 7-chloro-6,7,8-trideoxy-2-O-hexadecanoyl-6-({hydroxy[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]methylidene}amino)-1-thio-beta-L-erythro-octopyranoside--hydrogen chloride (1/1)
Database identifiers
- CAS
34850-73-2- PubChem CID
- 33030
- DTXSID
DTXSID30956344
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 23
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 810
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Compound notes
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