Gentamicin C1

HCID 72395CAS 25876-10-2

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Grundinformationen

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)NC)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O
InChIKey: CEAZRRDELHUEMR-CAMVTXANSA-N
Summenformel: C21H43N5O7
Durchschnittliche Molmasse: 477,6 g/mol
Monoisotopische Masse: 477,31624872

Überblick

gentamicin C1 has been reported in Liquidambar formosana with data available.

Namen und Bezeichner

Bevorzugter Name: Gentamicin C1
IUPAC: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Englischer Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-methylaminoethyl]oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
Summenformel: C21H43N5O7
Molmasse: 477.6

Namen und Synonyme

Gentamicin C125876-10-2I904Y9FPPVDTXSID9023091(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diolCHEBI:27412(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-((1R)-1-(methylamino)ethyl)oxan-2-yl)oxy-2-hydroxycyclohexyl)oxy-5-methyl-4-(methylamino)oxane-3,5-diol(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-((1R)-1-(methylamino)ethyl)tetrahydropyran-2-yl)oxy-2-hydroxy-cyclohexoxy)-5-methyl-4-(methylamino)tetrahydropyran-3,5-diolRefChem:142888DTXCID50819987Gentamicin C1 Pentaacetate Salt

Weitere Namen anzeigen

gentamycin C1Gentamycin ImpurityGentamicin ImpurityGentamicin C1 sulfateGentamicin Impurity 1Gentamicin Impurity 11Gentamicin Solution C1,10ppmGentamycin Sulfate Impurity 6

AC1L2HZVUNII-I904Y9FPPVC21H43N5O751GGentamicin Impurity 14Gentamicin C1 pentaacetateGENTAMICIN C1 [MI]CHEMBL463809

Datenbank-Bezeichner

CAS: 25876-10-2
PubChem CID: 72395
DTXSID: DTXSID9023091
ChEMBL: CHEMBL463809
UNII: I904Y9FPPV
Nikkaji: J37.113K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4,1
Polarare Oberfläche (TPSA): 200 Å²
H-Brücken-Donoren: 8
H-Brücken-Akzeptoren: 12
Frei drehbare Bindungen: 7
Schwere Atome: 33
Formalladung: 0
Komplexität: 636

Experimentelle und physikochemische Eigenschaften

Collision Cross Section214.5 Å² [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]

Physikochemische Eigenschaften

Schmelzpunkt: 125 · 125-130°C
Siedepunkt: 669.4 · 669.4±55.0 °C(Predicted)
Dichte: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under Inert Atmosphere
Löslichkeit: Methanol (Slightly), Water (Slightly, Sonicated)
pka: 13.29 · 13.29±0.70(Predicted)
Aggregatzustand: Solid
Farbe: White to Yellow
Stabilität: Very Hygroscopic

Chemie und Industrie

Anwendungen

VerwendenAntibiotic complex consists of three closely related components, gentamicins C1, C2, C1a, and also Gentamicin A which differs from the other members of the complex but is similar to Kanamycin C. Antibacterial.