NONOXYNOL-10 PHOSPHATE

The CAS register number of Sermul EA 211 is 51609-41-7. It also can be called as Poly(oxy-1,2-ethanediyl),R-(4-nonylphenyl)- ö-hydroxy-,phosphate and the systematic name about this chemical is 29-(4-nonylphenoxy)-3,6,9,12,15,18,21,24,27-nonaoxanonacos-1-yl dihydrogen phosphate. The molecular formula about this chemical is C₃₅H₆₅O₁₄P and the molecular weight is 740.856.

Physical properties about Sermul EA 211 are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.18; (4)ACD/LogD (pH 7.4): -2.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 14; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 40; (12)Polar Surface Area: 146.87 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 190.33 cm³; (15)Molar Volume: 658.2 cm³; (16)Polarizability: 75.45x10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 415.5 °C; (20)Enthalpy of Vaporization: 116.64 kJ/mol; (21)Boiling Point: 763.4 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-24 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)CCCCCCCCC
(2)InChI: InChI=1/C35H65O14P/c1-2-3-4-5-6-7-8-9-34-10-12-35(13-11-34)48-32-30-46-28-26-44-24-22-42-20-18-40-16-14-39-15-17-41-19-21-43-23-25-45-27-29-47-31-33-49-50(36,37)38/h10-13H,2-9,14-33H2,1H3,(H2,36,37,38)
(3)InChIKey: QKBKGDSRBJNQCP-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C35H65O14P/c1-2-3-4-5-6-7-8-9-34-10-12-35(13-11-34)48-32-30-46-28-26-44-24-22-42-20-18-40-16-14-39-15-17-41-19-21-43-23-25-45-27-29-47-31-33-49-50(36,37)38/h10-13H,2-9,14-33H2,1H3,(H2,36,37,38)
(5)Std. InChIKey: QKBKGDSRBJNQCP-UHFFFAOYSA-N