(1R,2S,3S,4S,5S,6S)-4,5,6-Trihydroxy-1,2,3-Cyclohexanetriyl Tris[Dihydrogen (Phosphate)]
[CAS# 27121-73-9]

Identification

• Name: (1R,2S,3S,4S,5S,6S)-4,5,6-Trihydroxy-1,2,3-Cyclohexanetriyl Tris[Dihydrogen (Phosphate)]
• Synonyms: inositol triphosphate; myo-inositol triphosphate; Phosphoric acid mono-((1R,2S,3R,4S,5S,6R)-2,3,4-trihydroxy-5,6-bis-phosphonooxy-cyclohexyl) ester
• Molecular Formula: C₆H₁₅O₁₅P₃
• Molecular Weight: 420.10
• CAS Registry Number: 27121-73-9
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
• InChI: 1S/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4+,5-,6-/m0/s1
• InChIKey: GKDKOMAJZATYAY-CNWJWELYSA-N

Properties

• Density: 2.3±0.1g/cm³ (Cal.)
• Boiling point: 839.2±75.0°C at 760 mmHg (Cal.)
• Flash point: 461.3±37.1°C (Cal.)
• Refractive index: 1.636 (Cal.)