(1R,2S,3R,5S)-3,5-Diamino-6-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxycyclohexane-1,2,4-Triol
[CAS# 77699-49-1]

Identification

• Name: (1R,2S,3R,5S)-3,5-Diamino-6-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxycyclohexane-1,2,4-Triol
• Synonyms: (1R,2S,3R,5S)-3,5-Diamino-6-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Cyclohexane-1,2,4-Triol; (1R,2S,3R,5S)-3,5-Diamino-6-[[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]Cyclohexane-1,2,4-Triol; (1R,2S,3R,5S)-3,5-Diamino-6-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy-Cyclohexane-1,2,4-Triol
• Molecular Formula: C₁₂H₂₅N₃O₇
• Molecular Weight: 323.35
• CAS Registry Number: 77699-49-1
• SMILES: [C@H]2(OC1[C@H](O)[C@@H](O)[C@H](N)C(O)[C@@H]1N)O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)C
• InChI: 1S/C12H25N3O7/c1-2-6(16)9(19)5(15)12(21-2)22-11-4(14)7(17)3(13)8(18)10(11)20/h2-12,16-20H,13-15H2,1H3/t2-,3-,4+,5-,6-,7?,8+,9-,10-,11?,12-/m1/s1
• InChIKey: NEFPXJYTRGEZPG-TWGZDOMGSA-N

Properties

• Density: 1.563g/cm³ (Cal.)
• Boiling point: 585.328°C at 760 mmHg (Cal.)
• Flash point: 307.796°C (Cal.)