[(1R,2R,3S,4R,5R,6S)-3,5,6-Trihydroxy-1,2,4-Cyclohexanetriyl]Tris[Oxyphosphorylbis(Oxymethylene)] Hexabutanoate
[CAS# 209479-81-2]

Identification

• Name: [(1R,2R,3S,4R,5R,6S)-3,5,6-Trihydroxy-1,2,4-Cyclohexanetriyl]Tris[Oxyphosphorylbis(Oxymethylene)] Hexabutanoate
• Molecular Formula: C₃₆H₆₃O₂₇P₃
• Molecular Weight: 1020.79
• CAS Registry Number: 209479-81-2
• SMILES: O=P(OCOC(=O)CCC)(OCOC(=O)CCC)O[C@H]1[C@H](O)[C@@H](OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)[C@H](OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)[C@@H](O)[C@H]1O
• InChI: 1S/C36H63O27P3/c1-7-13-25(37)49-19-55-64(46,56-20-50-26(38)14-8-2)61-34-31(43)32(44)35(62-65(47,57-21-51-27(39)15-9-3)58-22-52-28(40)16-10-4)36(33(34)45)63-66(48,59-23-53-29(41)17-11-5)60-24-54-30(42)18-12-6/h31-36,43-45H,7-24H2,1-6H3/t31-,32+,33+,34-,35-,36-/m1/s1
• InChIKey: PVEVFIAVCISJSO-FOJCDXFYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 920.408°C at 760 mmHg (Cal.)
• Flash point: 510.444°C (Cal.)
• Refractive index: 1.505 (Cal.)