Phytonadiol Sodium Diphosphate
[CAS# 5988-22-7]

Identification

• Name: Phytonadiol Sodium Diphosphate
• Synonyms: Disodium [2-Methyl-4-Phosphonooxy-3-(3,7,11,15-Tetramethylhexadecyl)-1-Naphthyl] Phosphate; Phytonadiol Sodium Diphosphate; Phytonadiol Sodium Diphosphate [Inn]
• Molecular Formula: C₃₁H₅₀Na₂O₈P₂
• Molecular Weight: 658.66
• CAS Registry Number: 5988-22-7
• SMILES: C1=CC=CC2=C(O[P]([O-])([O-])=O)C(=C(C(=C12)O[P](=O)(O)O)CCC(CCCC(CCCC(CCCC(C)C)C)C)C)C.[Na+].[Na+]
• InChI: 1S/C31H52O8P2.2Na/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(38-40(32,33)34)28-18-7-8-19-29(28)31(27)39-41(35,36)37;;/h7-8,18-19,22-25H,9-17,20-21H2,1-6H3,(H2,32,33,34)(H2,35,36,37);;/q;2*+1/p-2
• InChIKey: CAFNBCKMSLWJMJ-UHFFFAOYSA-L

Properties

• Boiling point: 748.9°C at 760 mmHg (Cal.)
• Flash point: 406.7°C (Cal.)