Antibiotic G-418, sulfate (salt)
Basic information
- CAS
49662-05-7- Standard SMILES
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
UHEPSJJJMTWUCP-DHDYTCSHSA-N- Molecular formula
- C20H44N4O18S2
- Average molar mass
- 692.7 g/mol
- Monoisotopic mass
- 692.20920291
Overview
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Names & identifiers
- Preferred name
- Antibiotic G-418, sulfate (salt)
- IUPAC
- (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
Names & synonyms
Antibiotic G-418, sulfate (salt)49662-05-7RefChem:1077066G-418 sulfateG-418 disulfate108321-42-2G-418 (disulfate)G 418 disulfate saltG418 DisulfateMFCD05664725(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid(2R,3S,4R,5R,6S)-5-Amino-6-(((1R,2S,3S,4R,6S)-4,6-diamino-3-(((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-2-((R)-1-hydroxyethyl)tetrahydro-2H-pyran-3,4-diol bis(sulfate)
Show more names
D-Streptamine, O-2-amino-2,7-dideoxy-D-glycero-alpha-D-gluco-heptopyranosyl-(1-->4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-->6)]-2-deoxy-, sulfate (1:2)C20H44N4O18S2MFCD00058314G-418 disulfate?(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol;sulfuric acidorb1300704SCHEMBL29383119AKOS024457991
Properties
Computed structural properties
- Topological polar surface area
- 414 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 763
Related reactions
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Compound notes
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