Molecular Structure of Tocoretinate (CAS NO.40516-48-1):
IUPAC Name: [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl](2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Molecular Formula: C49H76O3
Molecular Weight: 713.13
Mol File: 40516-48-1.mol
XLogP3-AA: 16.9
H-Bond Donor: 0
H-Bond Acceptor: 3
Index of Refraction: 1.523
Molar Refractivity: 227.17 cm3
Molar Volume: 742.9 cm3
Surface Tension: 35.5 dyne/cm
Density: 0.959 g/cm3
Flash Point: 339.8 °C
Enthalpy of Vaporization: 110.88 kJ/mol
Boiling Point: 761.3 °C at 760 mmHg
Vapour Pressure: 4.49E-23 mmHg at 25 °C
Tocoretinate (CAS NO.40516-48-1), its Synonyms are (+-)-(2R*)-2,5,7,8-Tetramethyl-2-((4R*,8R*)-4,8,12-trimethyltridecyl)-6-chromanyl retinoate ; Tretinoin tocoferil ; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate .
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