(1R,2R,3S,4R,5R,6S)-3,5,6-Trihydroxy-1,2,4-cyclohexanetriyl tris[dihydrogen (phosphate)]
[CAS# 88269-39-0]

Identification

• Name: (1R,2R,3S,4R,5R,6S)-3,5,6-Trihydroxy-1,2,4-cyclohexanetriyl tris[dihydrogen (phosphate)]
• Synonyms: 1,2,3,4,5,6-cyclohexanehexol, 1,2,4-tris(dihydrogen phosphate); 1,4,5-InsP3; 1D-myo-inositol 1,4,5-triphosphate
• Molecular Formula: C₆H₁₅O₁₅P₃
• Molecular Weight: 420.10
• CAS Registry Number: 88269-39-0
• SMILES: [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
• InChI: 1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
• InChIKey: MMWCIQZXVOZEGG-XJTPDSDZSA-N

Properties

• Density: 2.3±0.1g/cm³ (Cal.)
• Boiling point: 877.6±75.0°C at 760 mmHg (Cal.)
• Flash point: 484.5±37.1°C (Cal.)

References

• (1): Conway Stuart J.. Biology-enabling inositol phosphates, phosphatidylinositol phosphates and derivatives, Natural Product Reports, 2007