CAS 16059-16-8|Hexakis(1H,1H,5H-perfluoropentoxy)phosphazene 97%|hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine|hexakis[(2,2,3,3,4,4,5,5-octafluoro...

基本信息

化学结构

分子式

C₃₀H₁₈F₄₈N₃O₆P₃

分子量

1521.3250566

精确质量

1520.96419976

电荷

InChI

InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-88(83-2-14(45,46)26(69,70)20(57,58)8(33)34)79-89(84-3-15(47,48)27(71,72)21(59,60)9(35)36,85-4-16(49,50)28(73,74)22(61,62)10(37)38)81-90(80-88,86-5-17(51,52)29(75,76)23(63,64)11(39)40)87-6-18(53,54)30(77,78)24(65,66)12(41)42/h7-12H,1-6H2

InChIKey

TYEUBAWEDRQJFN-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(C(COP1(=NP(=NP(=N1)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F

Isomeric Smiles

N1=P(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)N=P(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(N=P1(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

计算属性

JChem

Acid pKa

19.090567

质子受体

质子供体

LogD (pH = 5.5)

15.255672

LogD (pH = 7.4)

15.255672

Log P

15.255672