Inositol 1,4-Bisphosphate 5-Phosphorothioate
[CAS# 116778-73-5]

Identification

• Name: Inositol 1,4-Bisphosphate 5-Phosphorothioate
• Synonyms: [(1S,2S,3R,4S,5S,6R)-2-Dihydroxyphosphinothioyloxy-3,5,6-Trihydroxy-4-Phosphonooxy-Cyclohexyl] Dihydrogen Phosphate; [(1S,2S,3R,4S,5S,6R)-2-Dihydroxythiophosphoryloxy-3,5,6-Trihydroxy-4-Phosphonooxy-Cyclohexyl] Dihydrogen Phosphate; Insp3s
• Molecular Formula: C₆H₁₅O₁₄P₃S
• Molecular Weight: 436.16
• CAS Registry Number: 116778-73-5
• SMILES: [C@@H]1([C@@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]1O)O[P](O)(O)=S)O[P](=O)(O)O)O[P](=O)(O)O
• InChI: 1S/C6H15O14P3S/c7-1-2(8)5(19-22(13,14)15)6(20-23(16,17)24)3(9)4(1)18-21(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,24)/t1-,2+,3+,4-,5-,6-/m0/s1
• InChIKey: UKCNLOBKKFKWLA-HOZKJCLWSA-N

Properties

• Density: 2.239g/cm³ (Cal.)
• Boiling point: 862.755°C at 760 mmHg (Cal.)
• Flash point: 475.577°C (Cal.)