Basic information
- CAS
122524-59-8- Standard SMILES
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.Nc1ccc(C(=O)O)c(O)c1- InChIKey
ZTBDPZMWQJCPLQ-RMIBZTJPSA-N- Molecular formula
- C28H46N8O15
- Average molar mass
- 734.7 g/mol
- Monoisotopic mass
- 734.30826279
Names & identifiers
- Preferred name
- 4-amino-2-hydroxybenzoic acid;1-[(1S,2R,3R,4S,5R,6S)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine
- IUPAC
- 4-amino-2-hydroxybenzoic acid;1-[(1S,2R,3R,4S,5R,6S)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine
Names & synonyms
SCHEMBL15955775
Database identifiers
- CAS
122524-59-8- PubChem CID
- 176524933
Properties
Computed structural properties
- Topological polar surface area
- 417 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 11
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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