6-[[(3S,3aR,6R,6aS)-6-Nitrooxy-2,3,3a,5,6,6a-Hexahydrofuro[2,3-d]Furan-3-Yl]Oxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 32871-20-8]

Identification

• Name: 6-[[(3S,3aR,6R,6aS)-6-Nitrooxy-2,3,3a,5,6,6a-Hexahydrofuro[2,3-d]Furan-3-Yl]Oxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: 6-[[(3S,3Ar,6R,6As)-6-Nitrooxy-2,3,3A,5,6,6A-Hexahydrofuro[2,3-D]Furan-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; 6-[[(3S,3Ar,6R,6As)-6-Nitrooxy-2,3,3A,5,6,6A-Hexahydrofuro[2,3-D]Furan-3-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; 6-[[(3S,3Ar,6R,6As)-6-Nitrooxy-2,3,3A,5,6,6A-Hexahydrofuro[2,3-D]Furan-3-Yl]Oxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₂H₁₇NO₁₂
• Molecular Weight: 367.27
• CAS Registry Number: 32871-20-8
• SMILES: [C@H]12OC[C@@H](O[N+]([O-])=O)[C@H]1OC[C@@H]2OC3OC(C(O)C(O)C3O)C(=O)O
• InChI: 1S/C12H17NO12/c14-5-6(15)10(11(17)18)24-12(7(5)16)23-3-1-21-9-4(25-13(19)20)2-22-8(3)9/h3-10,12,14-16H,1-2H2,(H,17,18)/t3-,4+,5?,6?,7?,8+,9+,10?,12?/m0/s1
• InChIKey: MQHSDQNPAIOBOQ-KUIJWGRUSA-N

Properties

• Density: 1.787g/cm³ (Cal.)
• Boiling point: 653.27°C at 760 mmHg (Cal.)
• Flash point: 348.886°C (Cal.)