(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside sulfate (1:2)
[CAS# 93965-12-9]

Identification

• Name: (1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside sulfate (1:2)
• Synonyms: dibekacin bis(sulphate)
• Molecular Formula: C₁₈H₄₁N₅O₁₆S₂
• Molecular Weight: 647.67
• CAS Registry Number: 93965-12-9
• EINECS: 300-960-3
• SMILES: OS(O)(=O)=O.OS(O)(=O)=O.N[C@@H]3CC[C@@H](CN)O[C@@H]3O[C@H]2[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O)[C@H](N)C[C@@H]2N
• InChI: 1S/C18H37N5O8.2H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;2*1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;2*(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;;/m0../s1
• InChIKey: YCYKGZPMQKHUBU-UHBFEBJOSA-N

Properties

• Boiling point: 989.5°C at 760 mmHg (Cal.)
• Flash point: 552.2°C (Cal.)