Basic information
- Standard SMILES
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@@H]3O[C@H](CN)[C@H](O)[C@@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O- InChIKey
PGBHMTALBVVCIT-JMABJWDWSA-N- Molecular formula
- C23H46N6O13
- Average molar mass
- 614.6 g/mol
- Monoisotopic mass
- 614.31228554
Names & identifiers
- Preferred name
- (2R,3R,4S,5R,6S)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
- IUPAC
- (2R,3R,4S,5R,6S)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
Names & synonyms
PGBHMTALBVVCIT-JMABJWDWSA-N
Database identifiers
- PubChem CID
- 70685100
Properties
Computed structural properties
- XLogP
- -9
- Topological polar surface area
- 353 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 872
Related reactions
1 records
Compound notes
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