Tetrasodium [(1R,2S,3S,4R,5R,6R)-4-(3-Aminopropoxy-Hydroxyphosphoryl)Oxy-2-Hydroxy-6-(Hydroxy-Oxidophosphoryl)Oxy-3,5-Dioxidocyclohexyl] Hydrogen Phosphate
[CAS# 145775-11-7]

Identification

• Name: Tetrasodium [(1R,2S,3S,4R,5R,6R)-4-(3-Aminopropoxy-Hydroxyphosphoryl)Oxy-2-Hydroxy-6-(Hydroxy-Oxidophosphoryl)Oxy-3,5-Dioxidocyclohexyl] Hydrogen Phosphate
• Synonyms: Tetrasodium [(1R,2S,3S,4R,5R,6R)-4-(3-Aminopropoxy-Hydroxy-Phosphoryl)Oxy-2-Hydroxy-6-(Hydroxy-Oxido-Phosphoryl)Oxy-3,5-Dioxido-Cyclohexyl] Hydrogen Phosphate; Miap-3,4-Bis(Phosphate); Myo-Inositol, 1-(3-Aminopropyl Hydrogen Phosphate) 3,4-Bisphosphate
• Molecular Formula: C₉H₁₈NNa₄O₁₅P₃
• Molecular Weight: 565.12
• CAS Registry Number: 145775-11-7
• SMILES: [C@H]1(O[P]([O-])(=O)O)[C@H](O[P]([O-])(=O)O)[C@@H](O)[C@H]([O-])[C@@H](O[P](OCCCN)(=O)O)[C@H]1[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C9H20NO15P3.4Na/c10-2-1-3-22-28(20,21)25-7-4(11)5(12)8(23-26(14,15)16)9(6(7)13)24-27(17,18)19;;;;/h4-9,12H,1-3,10H2,(H,20,21)(H2,14,15,16)(H2,17,18,19);;;;/q-2;4*+1/p-2/t4-,5-,6+,7+,8+,9+;;;;/m0..../s1
• InChIKey: VFDLKSVRRMSBDM-YCHNWRGSSA-L

Properties

• Boiling point: 823.9°C at 760 mmHg (Cal.)
• Flash point: 452.1°C (Cal.)