(2R,3S,4R,4aR,6S,7R,8aS)-7-Amino-6-{[(1R,2R,3S,4R,6S)-4-amino-2,3,6-trihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl alpha-D-glucopyranoside
[CAS# 86630-31-1]

Identification

• Name: (2R,3S,4R,4aR,6S,7R,8aS)-7-Amino-6-{[(1R,2R,3S,4R,6S)-4-amino-2,3,6-trihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl alpha-D-glucopyranoside
• Synonyms: 4''-Deamino-4''-hydroxyapramycin; D-Streptamine, O-α-D-glucopyranosyl-(1-8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-α-D-allo-octodialdo-1,5:8,4-dipyranosyl-(1-4)-2-deoxy-; Saccharocin
• Molecular Formula: C₂₁H₃₉N₃O₁₃
• Molecular Weight: 541.55
• CAS Registry Number: 86630-31-1
• SMILES: O3[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](NC)[C@@H](O)[C@H]4O[C@H](O[C@@H]2[C@@H](O)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)C[C@H]34
• InChI: 1S/C21H39N3O13/c1-24-10-13(29)18-8(33-20(10)37-21-16(32)14(30)12(28)9(4-25)34-21)3-6(23)19(36-18)35-17-7(26)2-5(22)11(27)15(17)31/h5-21,24-32H,2-4,22-23H2,1H3/t5-,6-,7+,8+,9-,10+,11+,12-,13-,14+,15-,16-,17-,18+,19+,20-,21-/m1/s1
• InChIKey: CANJCXYUUJPQSP-OKXNOFASSA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Boiling point: 842.784°C at 760 mmHg (Cal.)
• Flash point: 463.499°C (Cal.)