(2S,3S,4S,5R,6R)-6-[4-(Butyl-Nitrosoamino)Butoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 79381-29-6]

Identification

• Name: (2S,3S,4S,5R,6R)-6-[4-(Butyl-Nitrosoamino)Butoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-6-[4-(Butyl-Nitroso-Amino)Butoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[4-(Butyl-Nitrosoamino)Butoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[4-(Butyl-Nitroso-Amino)Butoxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₄H₂₆N₂O₈
• Molecular Weight: 350.37
• CAS Registry Number: 79381-29-6
• SMILES: [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OCCCCN(CCCC)N=O)C(=O)O)O)O)O
• InChI: 1S/C14H26N2O8/c1-2-3-6-16(15-22)7-4-5-8-23-14-11(19)9(17)10(18)12(24-14)13(20)21/h9-12,14,17-19H,2-8H2,1H3,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
• InChIKey: VVDUKXBGFTUMPJ-BYNIDDHOSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 621.08°C at 760 mmHg (Cal.)
• Flash point: 329.417°C (Cal.)