Cyclohexanamine - 1,6-di-O-phosphono-alpha-D-glucopyranose hydrate (4:1:1)
[CAS# 71662-13-0]

Identification

• Name: Cyclohexanamine - 1,6-di-O-phosphono-alpha-D-glucopyranose hydrate (4:1:1)
• Synonyms: Glc-1,6-PP.4CHA; α-D-Glucose 1,6-bisphosphate tetra(cyclohexylammonium) salt hydrate; α-D-Glucose 1,6-bisphosphate tetra(cyclohexylammonium) salt hydrate
• Molecular Formula: C₃₀H₆₈N₄O₁₃P₂
• Molecular Weight: 754.83
• CAS Registry Number: 71662-13-0
• EINECS: 275-777-4
• SMILES: O=P(O)(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COP(=O)(O)O)O.O.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1
• InChI: 1S/4C6H13N.C6H14O12P2.H2O/c4*7-6-4-2-1-3-5-6;7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15;/h4*6H,1-5,7H2;2-9H,1H2,(H2,10,11,12)(H2,13,14,15);1H2/t;;;;2-,3-,4+,5-,6-;/m....1./s1
• InChIKey: DMUBREKUECBHKK-KMWDTYPGSA-N

Properties

• Boiling point: 953.4°C at 760 mmHg (Cal.)
• Flash point: 530.4°C (Cal.)