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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-结构式图片|101908-22-9结构式图片
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
127989
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
- 中文别名 -
- 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
专业数据库参考
PubChemId 127989
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
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