TRIS(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-HENICOSAFLUORODODECYL) PHOSPHATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60858544

Structure

InChI Key YBJWUCHKFPHEOV-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C36H12F63O4P/c37-7(38,10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)31(85,86)34(91,92)93)1-4-101-104(100,102-5-2-8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(81,82)32(87,88)35(94,95)96)103-6-3-9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(83,84)33(89,90)36(97,98)99/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H12F63O4P1
Molecular Weight 1735.95
AlogP 22.15
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 36.0
Polar Surface Area 44.76
Heavy Atoms 104.0

Cross References

Resources Reference
CAS NUMBER 106554-16-9
NORMAN SUSDAT
PubChem 71752847
ChemSpider 57521956.0
CONTENTS