Basic information
- CAS
35665-49-7- 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](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.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](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
TYKAKNSVILMOPX-UDUGAUHUSA-N- Molecular formula
- C46H100N10O48S5
- Average molar mass
- 1,721.7 g/mol
- Monoisotopic mass
- 1,720.4295008
Names & identifiers
- Preferred name
- Monomycin sulfate
- IUPAC
- bis((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol);sulfuric acid
Names & synonyms
Monomycin sulfateRefChem:1089834Fi 5853D-Streptamine, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1-3)-beta-D-ribofuranosyl-(1-5))-2-deoxy-, sulfate (2:5)Streptamine, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1-3)-beta-D-ribofuranosyl-(1-5))-2-deoxy-, D-, sulfate (2:5)35665-49-7
Database identifiers
- CAS
35665-49-7- PubChem CID
- 215423
Properties
Computed structural properties
- Topological polar surface area
- 1,110 Ų
- Hydrogen bond donors
- 36
- Hydrogen bond acceptors
- 58
- Rotatable bonds
- 18
- Heavy atoms
- 109
- Formal charge
- 0
- Complexity
- 952
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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