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Gentamicin C1A

PubChem CID: 72396

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Compound Synonyms Gentamicin C1a, 26098-04-4, Gentamycin C1A, Gentamycin C12, Gentamicin Cla, UNII-AV4A72IATD, AV4A72IATD, BRN 1356351, (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol, GENTAMICIN C1A [MI], DTXSID4023092, CHEBI:27784, (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-2-deoxy-, Gentamicinc1A, Gentamicin C, (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, D-STREPTAMINE, O-3-DEOXY-4-C-METHYL-3-(METHYLAMINO)-.BETA.-L-ARABINOPYRANOSYL-(1->6)-O-(2,6-DIAMINO-2,3,4,6-TETRADEOXY-.ALPHA.-D-ERYTHRO-HEXOPYRANOSYL-(1->4))-2-DEOXY-, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-2-deoxy-D-streptamine, Gentamicin C1A Deuterated Pentaacetate Salt, Septocin, (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-(aminomethyl)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-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol, D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-.beta.-L-arabinopyranosyl-(1->6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-.alpha.-D-erythro-hexopyranosyl-(1->4)]-2-deoxy-, O-3-Deoxy-4-C-methyl-3-(methylamino)-?-L-arabinopyranosyl-(1-6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-?-D-erythro-hexopyranosyl-(1-4)]-2-deoxy-D-streptamine Pentaacetate Salt Deuterated, Gentamicin D Acetate Deuterated, Gentamycin C1a Acetate Deuterated, Gentamicin C3 Acetate Deuterated, Liposomal Gentamicin, Gentocin (*sulfate*), Garamycin (*sulfate*), Gentamicin C1a pentaacetate, SCHEMBL66939, CHEMBL194126, DTXCID803092, TLC G-65, D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-.beta.-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-.alpha.-D-erythro-hexopyranosyl-(1-4))-2-deoxy-, NSC82261, AG16458, DB04729, AG170748, DA-63737, HY-148286, CS-0618278, NS00011538, C00908, G78435, Q27095468, OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR, D-STREPTAMINE, O-3-DEOXY-4-C-METHYL-3-(METHYLAMINO)-BETA-L-ARABINOPYRANOSYL-(1->6)-O-(2,6-DIAMINO-2,3,4,6-TETRADEOXY-ALPHA-D-ERYTHRO-HEXOPYRANOSYL-(1->4))-2-DEOXY-, O-3-Deoxy-4-C-methyl-3-(methylamino)-b-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-a-D-erythro-hexopyranosyl-(1-4))-2-deoxy-D-streptamine, O-3-Deoxy-4-C-methyl-3-(methylamino)-b-L-arabinopyranosyl-(1-6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-a-D-erythro-hexopyranosyl-(1-4)]-2 -deoxy-D-streptamine pentaacetate salt, Gentamicin D acetate, Gentamycin C1a acetate, O-3-Deoxy-4-C-methyl-3-(methylamino)-I2-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-I+--D-erythro-hexopyranosyl-(1-4))-2-deoxy-D-streptamine
Prediction Swissadme 0.0
Topological Polar Surface Area 214.0
Hydrogen Bond Donor Count 8.0
Inchi Key VEGXETMJINRLTH-BOZYPMBZSA-N
Fcsp3 1.0
Rotatable Bond Count 6.0
Heavy Atom Count 31.0
Compound Name Gentamicin C1A
Prediction Hob Swissadme 0.0
Exact Mass 449.285
Formal Charge 0.0
Monoisotopic Mass 449.285
Isotope Atom Count 0.0
Molecular Complexity 592.0
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 449.5
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 12.0
Iupac Name (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Total Atom Stereocenter Count 12.0
Total Bond Stereocenter Count 0.0
Prediction Hob 0.0
Esol 0.9439961999999987
Inchi InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
Smiles C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O
Xlogp -5.0
Defined Bond Stereocenter Count 0.0
Molecular Formula C19H39N5O7

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