(1S,2S,3R,4S,6R)-4,6-Diamino-3-{[3-Amino-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-2-Yl]Oxy}-2-Hydroxycyclohexyl 3-Deoxy-4-C-Methyl-3-(Methylamino)-beta-L-Arabinopyranoside Sulfate (2:5)
[CAS# 53776-71-9]

Identification

• Name: (1S,2S,3R,4S,6R)-4,6-Diamino-3-{[3-Amino-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-2-Yl]Oxy}-2-Hydroxycyclohexyl 3-Deoxy-4-C-Methyl-3-(Methylamino)-beta-L-Arabinopyranoside Sulfate (2:5)
• Synonyms: disisomicin pentakis(sulphate); SISOMICIN SULFATE
• Molecular Formula: C₃₈H₈₄N₁₀O₃₄S₅
• Molecular Weight: 1385.45
• CAS Registry Number: 53776-71-9
• SMILES: OS(O)(=O)=O.OS(O)(=O)=O.C[C@]3(O)CO[C@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](OC1OC(/CN)=C\CC1N)[C@@H]2O)[C@H](O)[C@H]3NC.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.NC3C\C=C(\CN)OC3O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O)[C@H]2O
• InChI: 1S/2C19H37N5O7.5H2O4S/c2*1-19(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;5*1-5(2,3)4/h2*3,9-18,24-27H,4-7,20-23H2,1-2H3;5*(H2,1,2,3,4)/t2*9?,10-,11+,12-,13+,14+,15-,16+,17?,18+,19-;;;;;/m00...../s1
• InChIKey: CIKNYWFPGZCHDL-UYIUNSPHSA-N

Properties

• Boiling point: 1504.5°C at 760 mmHg (Cal.)
• Flash point: 863.7°C (Cal.)