AG00FA9E

66803-19-8 | (2R,3R,4R,5R)-2-(((1S,2S,3R,4S,6R)-4,6-Diamino-3-(((2R,3R,6S)-3-amino-6-((methylamino)methyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-5-methyl-4-(methylamino)tetrahydro-2H-pyran-3,5-diol sulfate

AG00FA9E

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CAS Number	66803-19-8
Catalog Number	AG00FA9E(AGN-PC-0TM55A)
Chemical Name	(2R,3R,4R,5R)-2-(((1S,2S,3R,4S,6R)-4,6-Diamino-3-(((2R,3R,6S)-3-amino-6-((methylamino)methyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-5-methyl-4-(methylamino)tetrahydro-2H-pyran-3,5-diol sulfate
IUPAC Name	(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
InChI	InChI=1S/C20H41N5O7.H2O4S/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2;1-5(2,3)4/h9-19,24-28H,4-8,21-23H2,1-3H3;(H2,1,2,3,4)/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-;/m0./s1
InChI Key	MQDGQSCLOYLSEK-SCFBDNQUSA-N
MDL Number	MFCD00941451
Molecular Formula	C20H43N5O11S
Molecular Weight	561.6473
SMILES	O[C@@H]([C@@H]1O[C@H]2O[C@H](CNC)CC[C@H]2N)[C@H]([C@H](N)C[C@@H]1N)O[C@@H](OC3)[C@H](O)[C@@H](NC)[C@]3(O)C.OS(O)(=O)=O
Synonyms	6'-N-methylgentamicin C, DE 020, DE-020, gentamicin C2b, KW 1062, KW-1062, micronomicin, sagamicin, XK-62-2, micronomicin sulfate, 66803-19-8, Micronomycin sulfate, Santemycin, Sagamicin, Sagamicin (TN), NCGC00183277-01, Sagamacin, Santemycin (TN), Streptamine, O-2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-, sulfate, D-, DSSTox_CID_28535, DSSTox_RID_82807, DSSTox_GSID_48609, Micronomicin sulfate (JP17), AC1L587V, CHEMBL515234, SCHEMBL1088116, DTXSID3048609, CHEBI:31844, Tox21_112944, MFCD00941451, AKOS025401575, API0003384, (C20H41N5O7)2.5H2SO4, AC-22348, AS-35224, H915, CAS-66803-19-8, LS-146975, D01821, C-23869, (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-((methylamino)methyl)tetrahydro-2H-pyran-2-yloxy)-2-hydroxycyclohexyloxy)-5-methyl-4-(methylamino)tetrahydro-2H-pyran-3,5-diol sulfate, (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol,sulfuric acid, (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid, Micronomicin, MICRONOMICINSULFATE, UNII-VB11MZ2BJP, D09DBR, UNII-09H5UKQ7TZ, C21H43N5O6.H2O4S, CID171808, KW-1062, XK-62-2, C21-H43-N5-O6.H2-O4-S,

Complexity	688
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	12
Defined Bond Stereocenter Count	0
Exact Mass	561.268g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	10
Isotope Atom Count	0
Molecular Weight	561.648g/mol
Monoisotopic Mass	561.268g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	283A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number