3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10 ,11,11,12,12,12-二十一氟-1-十二烷 醇磷酸酯(3:1)
Tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) phosphate · CAS 106554-16-9
- 中文名
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10 ,11,11,12,12,12-二十一氟-1-十二烷 醇磷酸酯(3:1)
- 中文别名
- 暂无
- 英文名
- Tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) phosphate
- CAS
- 106554-16-9
- CID
- 71752847
- IUPAC 名称
- tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) phosphate
名称与编号
- 中文名
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10 ,11,11,12,12,12-二十一氟-1-十二烷 醇磷酸酯(3:1)
- 中文别名
- 暂无
- 英文名
- Tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) phosphate
- CAS
- 106554-16-9
- CID
- 71752847
- IUPAC 名称
- tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) phosphate
分子属性
- 分子式
- C36H12F63O4P
- 分子量
- 1736.3 g/mol
- 精确质量
- 1735.9467201 Da
- 单同位素质量
- 1735.9467201 Da
- XLogP
- 22
- 极性表面积
- 44.8 Ų
- 氢键供体
- 0
- 氢键受体
- 67
- 可旋转键
- 36
- 重原子数
- 104
- 净电荷
- 0
- 结构复杂度
- 2710
结构标识
- InChIKey
- YBJWUCHKFPHEOV-UHFFFAOYSA-N
- SMILES
- C(COP(=O)(OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)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