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Gentamicin C1

PubChem CID: 72395

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Compound Synonyms Gentamicin C1, 25876-10-2, gentamicin, UNII-I904Y9FPPV, I904Y9FPPV, GENTAMICIN C1 [MI], (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, DTXSID9023091, Gentamycin C1, Gentamicin C1 Pentaacetate Salt, (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-diol, D-Streptamine, O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-, (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, Gentamicin sulfate, GENTAMYCIN, AC1L2HZV, (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-diol, 51G, Gentamicin C1 pentaacetate, CHEMBL463809, SCHEMBL19270300, DTXCID50819987, CEAZRRDELHUEMR-CAMVTXANSA-N, HMS2090K12, RKL10091, BDBM50366389, AG16457, NCGC00262591-04, D-Streptamine, O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-.alpha.-D-ribo-heptopyranosyl-(1.fwdarw.4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-.beta.-L-arabinopyranosyl-(1.fwdarw.6)]-2-deoxy-, DB-222747, NS00093649, C07656, AB01275504-01, Q27280589, (1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, 877009-84-2
Topological Polar Surface Area 200.0
Hydrogen Bond Donor Count 8.0
Heavy Atom Count 33.0
Isotope Atom Count 0.0
Molecular Complexity 636.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 13.0
Iupac Name (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
Prediction Hob 0.0
Xlogp -4.1
Molecular Formula C21H43N5O7
Prediction Swissadme 0.0
Inchi Key CEAZRRDELHUEMR-CAMVTXANSA-N
Fcsp3 1.0
Logs -0.97
Rotatable Bond Count 7.0
Logd -0.658
Compound Name Gentamicin C1
Prediction Hob Swissadme 0.0
Exact Mass 477.316
Formal Charge 0.0
Monoisotopic Mass 477.316
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 477.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 13.0
Total Bond Stereocenter Count 0.0
Esol 0.24386139999999862
Inchi InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
Smiles C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC
Nring 3.0
Defined Bond Stereocenter Count 0.0

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