2-Naphthalenol,5,6,7,8-tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-,(5R,6R)-rel- | 101908-22-9
2-Naphthalenol,5,6,7,8-tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-,(5R,6R)-rel-
101908-22-9
C31H41F5O3S
588.71244
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-Naphthalenol,5,6,7,8-tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-,(5R,6R)-rel-结构式
名称和标识符
InChIKey |
FSMUFBPBKQSSHZ-IMVCMCQESA-N |
Inchi |
InChI=1S/C31H41F5O3S/c1-29(24-11-13-25(37)14-12-24)19-17-23-22-26(38)15-16-27(23)28(29)10-7-5-3-2-4-6-8-20-40(39)21-9-18-30(32,33)31(34,35)36/h11-16,22,28,37-38H,2-10,17-21H2,1H3/t28-,29-,40?/m1/s1 |
SMILES |
C(CCS(CCCC(C(F)(F)F)(F)F)=O)CCCCCC[C@@H]1C2=CC=C(C=C2CC[C@@]1(C1=CC=C(O)C=C1)C)O |
别名信息
- 英文别名 -
- 2-Naphthalenol,5,6,7,8-tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-,(5R,6R)-rel-
- (5S,6S)-6-(4-hydroxyphenyl)-6-methyl-5-[9-(4,4,5,5,5-pentafluoropentyl sulfinyl)nonyl]tetralin-2-ol
- 2-Naphthalenol,5,6,7,8-tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-,(5R,6R)-re
- 6-(4-hydroxyphenyl)-6-methyl-5-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8-dihydro-5H-naphthalen-2-ol
- (5S,6S)-6-(4-hydroxyphenyl)-6-methyl-5-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}-5,6,7,8-tetrahydronaphthalen-2-ol
- ZM 189154
- ZM-189154
- (5S,6S)-6-(4-hydroxyphenyl)-6-methyl-5-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8-dihydro-5H-naphthalen-2-ol
- UNII-FS0623KTD8
- 101908-22-9
- Q27278155
- 2-Naphthalenol, 5,6,7,8-tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (5alpha,6alpha)-(+-)-
- 2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-6-(4-HYDROXYPHENYL)-6-METHYL-5-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-, (5R,6R)-REL-
- 2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-6-(4-HYDROXYPHENYL)-6-METHYL-5-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-, (5.ALPHA.,6.ALPHA.)-(+/-)-
- (1RS,2RS)-2-(4-Hydroxyphenyl)-2-methyl-1-(9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl)-1,2,3,4-tetrahydronaphth-6-ol
- DTXSID5044071
- ZM 189,154
- FSMUFBPBKQSSHZ-IMVCMCQESA-N
- (5alpha,6alpha)-(+-)-5,6,7,8-Tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-2-naphthalenol
- FS0623KTD8
物化性质
实验特性
LogP |
9.79850 |
PSA |
57.53 |
折射率 |
1.528 |
沸点 |
662°C at 760 mmHg |
闪点 |
354.2°C |
密度 |
1.205 |
计算特性
精确分子量 |
588.26983 |
氢键供体数量 |
2 |
氢键受体数量 |
9 |
可旋转化学键数量 |
15 |
同位素质量 |
588.27 |
重原子数量 |
40 |
复杂度 |
771 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
3 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
9.6 |
拓扑分子极性表面积 |
76.7A^2 |
2-Naphthalenol,5,6,7,8-tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-,(5R,6R)-rel-推荐生产厂家