kasugamycin hydrate hydrochloride

CAS: 200132-83-8

Formula: C14H28ClN3O10

SMILES: O.Cl.C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1N=C(N)C(O)=O

IUPAC: {N'-[(2R,3S,5S,6R)-5-amino-2-methyl-6-{[(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}oxan-3-yl]carbamimidoyl}formic acid hydrate hydrochloride

InChI: InChI=1S/C14H25N3O9.ClH.H2O/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H;1H2/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-;;/m1../s1

Composition: C (38.76%), H (6.51%), Cl (8.17%), N (9.69%), O (36.88%)

Molar Mass: 433.84

Atom Count: 56

Heavy Atom Count: 28