Polyisoprenol Phosphate Glucose
[CAS# 40513-59-5]

Identification

• Name: Polyisoprenol Phosphate Glucose
• Synonyms: [(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-Undecaenyl] Hydrogen Phosphate; [(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-Undecaenyl] Hydrogen Phosphate; [(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-Undecaenyl] Hydrogen Phosphate
• Molecular Formula: C₆₁H₁₀₁O₉P
• Molecular Weight: 1009.44
• CAS Registry Number: 40513-59-5
• SMILES: [C@H]1(O)C(O[C@@H]([C@@H](O)[C@@H]1O)CO)O[P](OC\C=C(\CC\C=C(\CC\C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C)C)C)C)C)C)C)(=O)O
• InChI: 1S/C61H101O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-41+,56-43+/t57-,58-,59+,60-,61?/m1/s1
• InChIKey: IGWCSVFNNDSUBK-ZGDYLPBSSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 964.613°C at 760 mmHg (Cal.)
• Flash point: 537.179°C (Cal.)