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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
Topological Polar Surface Area 214.0
Hydrogen Bond Donor Count 8.0
Heavy Atom Count 31.0
Isotope Atom Count 0.0
Molecular Complexity 592.0
Database Name cmaup_ingredients;pubchem
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
Nih Violation True
Prediction Hob 0.0
Xlogp -5.0
Is Pains False
Molecular Formula C19H39N5O7
Prediction Swissadme 0.0
Inchi Key VEGXETMJINRLTH-BOZYPMBZSA-N
Fcsp3 1.0
Rotatable Bond Count 6.0
Compound Name Gentamicin C1A
Prediction Hob Swissadme 0.0
Exact Mass 449.285
Formal Charge 0.0
Brenk Violation False
Monoisotopic Mass 449.285
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 449.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 12.0
Total Bond Stereocenter Count 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
Defined Bond Stereocenter Count 0.0

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