Basic information
- CAS
85166-09-2- Standard SMILES
CN(c1cccc2c(S(=O)(=O)O)cccc12)C1[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](O[C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1N- InChIKey
CBFGHNKLNZKJFG-YOGPZCFISA-N- Molecular formula
- C35H56N6O16S
- Average molar mass
- 848.9 g/mol
- Monoisotopic mass
- 848.34735089
Names & identifiers
- Preferred name
- Dansylparomomycin
- IUPAC
- 5-[[(2S,3R,4R,5S,6R)-2,6-diamino-4-[(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-[(1S,2R,3R,4R,5R)-2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-5-hydroxycyclohexyl]-methylamino]naphthalene-1-sulfonic acid
- English name
- dansylparomomycin
- Molecular formula
- C35H56N6O16S
- Molecular weight
- 848.91474
Names & synonyms
DansylparomomycinDansyl-paromomycin85166-09-2D-Streptamine, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1-6)-beta-D-ribofuranosyl-(1-5))-2-deoxy-, N-((5-(dimethylamino)-1-naphthalenyl)sulfonyl) deriv.RefChem:1309035-[[(2S,3R,4R,5S,6R)-2,6-diamino-4-[(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-[(1S,2R,3R,4R,5R)-2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-5-hydroxycyclohexyl]-methylamino]naphthalene-1-sulfonic acid
Database identifiers
- CAS
85166-09-2- PubChem CID
- 196299
Properties
Computed structural properties
- XLogP
- -8.9
- Topological polar surface area
- 404 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 12
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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