[(2S)-2-[(7R,11R)-3-Hydroxy-3,7,11,15-Tetramethylhexadecoxy]-3-[(3R,7R,11R)-3,7,11,15-Tetramethylhexadecoxy]Propyl] [(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl] Hydrogen Phosphate
[CAS# 134067-43-9]

Identification

• Name: [(2S)-2-[(7R,11R)-3-Hydroxy-3,7,11,15-Tetramethylhexadecoxy]-3-[(3R,7R,11R)-3,7,11,15-Tetramethylhexadecoxy]Propyl] [(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl] Hydrogen Phosphate
• Synonyms: [(2S)-2-[(7R,11R)-3-Hydroxy-3,7,11,15-Tetramethyl-Hexadecoxy]-3-[(3R,7R,11R)-3,7,11,15-Tetramethylhexadecoxy]Propyl] [(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl] Hydrogen Phosphate; Hydroxyarchaetidyl-Myo-Inositol; Hydroxyarchaetidylinositol
• Molecular Formula: C₄₉H₉₉O₁₂P
• Molecular Weight: 911.29
• CAS Registry Number: 134067-43-9
• SMILES: [C@@H]1(O)C(O[P](OC[C@@H](OCCC(O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)COCC[C@@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)(O)=O)[C@@H](O)[C@@H](O)C(O)[C@H]1O
• InChI: 1S/C49H99O12P/c1-35(2)17-11-19-37(5)21-13-23-39(7)24-15-26-41(9)28-31-58-33-42(34-60-62(56,57)61-48-46(53)44(51)43(50)45(52)47(48)54)59-32-30-49(10,55)29-16-27-40(8)25-14-22-38(6)20-12-18-36(3)4/h35-48,50-55H,11-34H2,1-10H3,(H,56,57)/t37-,38-,39-,40-,41-,42+,43?,44-,45+,46+,47+,48?,49?/m1/s1
• InChIKey: BIMQTAPDDPVEMF-HDDFTCKKSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 878.468°C at 760 mmHg (Cal.)
• Flash point: 485.08°C (Cal.)