alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate)
[CAS# 63505-68-0]

Identification

• Name: alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate)
• Synonyms: [(2R,3S,4S,5R,6S)-3,4,6-Trihydroxy-5-(3-Nitropropanoyloxy)Tetrahydropyran-2-Yl]Methyl 3-Nitropropanoate; 3-Nitropropanoic Acid [(2R,3S,4S,5R,6S)-3,4,6-Trihydroxy-5-(3-Nitro-1-Oxopropoxy)-2-Tetrahydropyranyl]Methyl Ester; 3-Nitropropionic Acid [(2R,3S,4S,5R,6S)-3,4,6-Trihydroxy-5-(3-Nitropropanoyloxy)Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₁₂H₁₈N₂O₁₂
• Molecular Weight: 382.28
• CAS Registry Number: 63505-68-0
• SMILES: [C@H]1([C@H]([C@H](O)[C@H](O[C@@H]1O)COC(CC[N+]([O-])=O)=O)O)OC(CC[N+]([O-])=O)=O
• InChI: 1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(12(19)25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1
• InChIKey: VDUXCWJUZIOGJA-JPXBYFMYSA-N

Properties

• Density: 1.595g/cm³ (Cal.)
• Boiling point: 634.263°C at 760 mmHg (Cal.)
• Flash point: 337.391°C (Cal.)