1-O,2-O,3-O-Tri(3-Nitropropanoyl)-alpha-D-Glucopyranose
[CAS# 63368-43-4]

Identification

• Name: 1-O,2-O,3-O-Tri(3-Nitropropanoyl)-alpha-D-Glucopyranose
• Synonyms: 4-Hydroxy-3-Nitro-4-[(3S,4S,5R,6S)-3,4,5,6-Tetrahydroxy-5,6-Bis(3-Hydroxy-1-Nitro-3-Oxo-Propyl)Tetrahydropyran-2-Yl]Butanoic Acid; 4-Hydroxy-3-Nitro-4-[(3S,4S,5R,6S)-3,4,5,6-Tetrahydroxy-5,6-Bis(3-Hydroxy-1-Nitro-3-Oxopropyl)-2-Tetrahydropyranyl]Butanoic Acid; 4-Hydroxy-3-Nitro-4-[(3S,4S,5R,6S)-3,4,5,6-Tetrahydroxy-5,6-Bis(3-Hydroxy-3-Keto-1-Nitro-Propyl)Tetrahydropyran-2-Yl]Butyric Acid
• Molecular Formula: C₁₅H₂₁N₃O₁₈
• Molecular Weight: 531.34
• CAS Registry Number: 63368-43-4
• SMILES: [C@@]1(O)([C@](OC([C@@H](O)[C@@H]1O)C(O)C([N+]([O-])=O)CC(=O)O)(O)C([N+]([O-])=O)CC(=O)O)C([N+]([O-])=O)CC(=O)O
• InChI: 1S/C15H21N3O18/c19-7(20)1-4(16(30)31)10(25)12-11(26)13(27)14(28,5(17(32)33)2-8(21)22)15(29,36-12)6(18(34)35)3-9(23)24/h4-6,10-13,25-29H,1-3H2,(H,19,20)(H,21,22)(H,23,24)/t4?,5?,6?,10?,11-,12?,13+,14-,15+/m1/s1
• InChIKey: PYWXNZCLLZXVGG-MNWYQOIMSA-N

Properties

• Density: 1.93g/cm³ (Cal.)
• Boiling point: 951.85°C at 760 mmHg (Cal.)
• Flash point: 529.46°C (Cal.)