(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one
[CAS# 64771-73-9]

Identification

• Name: (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one
• Synonyms: (8S,11S,13S,14S,3R,6R,10R,12R)-12,14-bis(methylamino)-3,11,13-trihydroxy-6-methyl-2,7,9-trioxatricyclo[8.4.0.0<3,8>]tetradecan-4-one; 21736-83-4 (DIHYDROCHLORIDE); 22189-32-8 (DIHYDROCHLORIDE PENTAHYDRATE)
• Molecular Formula: C₁₄H₂₄N₂O₇
• Molecular Weight: 332.35
• CAS Registry Number: 64771-73-9
• SMILES: C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O
• InChI: 1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
• InChIKey: UNFWWIHTNXNPBV-WXKVUWSESA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 583.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 306.4±30.1°C (Cal.)