Fortimicin B
Basic information
- CAS
54783-95-8- Standard SMILES
CN[C@H]1[C@@H](O)[C@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H](N)[C@H](O)[C@@H]1OC- InChIKey
WFMQYKIRAVMXSU-LCVFDZPESA-N- Molecular formula
- C15H32N4O5
- Average molar mass
- 348.44 g/mol
- Monoisotopic mass
- 348.23727013
Overview
Fortimicin B is an amino sugar.
Names & identifiers
- Preferred name
- Fortimicin B
- IUPAC
- (1S,2S,3R,4R,5S,6R)-2-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-6-methoxy-5-(methylamino)cyclohexane-1,4-diol
- English name
- fortimicin B
- Molecular formula
- C15H32N4O5
- Molecular weight
- 348.44
Names & synonyms
Fortimicin BAstromicin B54783-95-850PN6JXE5M(1S,2S,3R,4R,5S,6R)-2-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-6-methoxy-5-(methylamino)cyclohexane-1,4-diolDTXSID70226254-Amino-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methyl-1-(methylamino)-L-chiro-inositol(1S,2S,3R,4R,5S,6R)-2-amino-3-((2R,3R,6S)-3-amino-6-((1S)-1-aminoethyl)oxan-2-yl)oxy-6-methoxy-5-(methylamino)cyclohexane-1,4-diolRefChem:141353DTXCID002625UNII-50PN6JXE5MFORTIMICIN B [MI]
Show more names
4-Amino-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-β-L-lyxo-heptopyranosyl)-6-O-methyl-1-methylamino-L-chiro-inositol4-Amino-1-(methylamino)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-β-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositolL-chiro-Inositol, 4-amino-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-β-L-lyxo-heptopyranosyl)-6-O-methyl-1-(methylamino)-
SCHEMBL692082CHEBI:81284HY-N14399NS00011545C17709Q27155224(1R,2S,3S,4R,5S,6R)-2-Amino-3,6-dihydroxy-4-methoxy-5-(methylamino)cyclohexyl 2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranoside(1R,2S,3S,4R,5S,6R)-2-amino-3,6-dihydroxy-5-(methylamino)-4-(methyloxy)cyclohexyl 2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranoside
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 101 · 101-103°
- alpha
- 25 · D25 +22.2° (c = 0.1 in water)
- Boiling point
- 532 · 532.0±50.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 13.45 · 13.45±0.70(Predicted)
- FDA UNII
- 50 PN6JXE5M · 50PN6JXE5M
Chemistry & industry
Additional notes
DefinitionChEBI: Fortimicin B is an amino sugar.
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