15-({2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)-3-hydroxycholestan-26-yl acetate
Basic information
- CAS
94359-66-7- Standard SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]2C[C@H]([C@H](C)CCC[C@@H](C)COC(C)=O)[C@@]3(C)CCC4C(CCC5CC(O)CC[C@@]54C)C23)O[C@@H](CO)[C@@H](O)[C@H]1O- InChIKey
WXOGDJTTZMLWNJ-NZTNEGHXSA-N- Molecular formula
- C37H63NO9
- Average molar mass
- 665.9 g/mol
- Monoisotopic mass
- 665.45028259
Names & identifiers
- Preferred name
- 15-({2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)-3-hydroxycholestan-26-yl acetate
- IUPAC
- [(2R,6R)-6-[(10S,13R,15R,17R)-15-[(2R,3R,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate
Names & synonyms
DTXSID50915599(8xi,9xi,14xi,25R)-15beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-alpha-L-talopyranosyl}oxy)-3-hydroxycholestan-26-yl acetate15-({2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)-3-hydroxycholestan-26-yl acetate
Database identifiers
- CAS
94359-66-7- PubChem CID
- 185339
- DTXSID
DTXSID50915599
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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