Karakin
[CAS# 1400-11-9]

Identification

• Name: Karakin
• Synonyms: [(2R,3S,4S,5R,6S)-3,4-Dihydroxy-5,6-Bis(3-Nitropropanoyloxy)Tetrahydropyran-2-Yl]Methyl 3-Nitropropanoate; 3-Nitropropanoic Acid [(2R,3S,4S,5R,6S)-3,4-Dihydroxy-5,6-Bis(3-Nitro-1-Oxopropoxy)-2-Tetrahydropyranyl]Methyl Ester; 3-Nitropropionic Acid [(2R,3S,4S,5R,6S)-3,4-Dihydroxy-5,6-Bis(3-Nitropropanoyloxy)Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₁₅H₂₁N₃O₁₅
• Molecular Weight: 483.34
• CAS Registry Number: 1400-11-9
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(CC[N+]([O-])=O)=O)OC(CC[N+]([O-])=O)=O)OC(CC[N+]([O-])=O)=O
• InChI: 1S/C15H21N3O15/c19-9(1-4-16(24)25)30-7-8-12(22)13(23)14(32-10(20)2-5-17(26)27)15(31-8)33-11(21)3-6-18(28)29/h8,12-15,22-23H,1-7H2/t8-,12-,13+,14-,15+/m1/s1
• InChIKey: CNURKUNYCXCBEK-WMNSZERYSA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 717.359°C at 760 mmHg (Cal.)
• Flash point: 387.645°C (Cal.)