54276-24-3 ((5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(3S)-3-hydroxy-4-[3-(trifl uoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid,(5z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-{(3s)-3-hydroxy-4-[3-(trifl Uoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic Acid)

CAS号:
54276-24-3
中文名称:
(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(3S)-3-hydroxy-4-[3-(trifl uoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid
英文名称:
(5z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-{(3s)-3-hydroxy-4-[3-(trifl Uoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic Acid
分子式:
C23H29F3O6
分子量:
458.467978239059

(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(3S)-3-hydroxy-4-[3-(trifl uoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid(54276-24-3)名称与标识符

名称

英文别名:
(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(3S)-3-hydroxy-4-[3-(trifl uoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid;Fluprostenol;(5Z)-rel-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic acid;(+/-)16-(M-TRIFLUOROMETHYLPHENOXY)-TETRANOR-PROSTAGLANDIN F2ALPHA;FLUPROSTENOL, ETHANOL SOLUTION;(Z)-7-(3,5-dihydroxy-2-((E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)cyclopentyl)hept-5-enoic acid;(+/-)-9ALPHA,11ALPHA,15R-TRIHYDROXY-16-(3-(TRIFLUOROMETHYL)PHENOXY)-17,18,19, 20-TETRANORPROSTA 5Z,13E-DIEN-1-OIC ACID;(+/-)-16-(3-TRIFLUOROMETHYLPHENOXY)TETRANORPROSTAGLANDIN F2ALPHA;15(S)-FLUPROSTENOL;(+/-)-9ALPHA,11ALPHA,15R-TRIHYDROXY-16-(3-(TRIFLUOROMETHYL)PHENOXY)-17,18,19, 20-TET;CS-0089435;HY-108560A;2-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, (1R-(1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha))-;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;73307-38-7;7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((S,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoic acid;9alpha,11alpha,15S-Trihydroxy-16-(3-(trifluoromethyl)Phenoxy)-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid;SR-01000946511-1;16-(3-(Trifluoromethyl)phenoxy)-17,18,19,20-tetranor-2,3-cis-didehydro-pgf1-alpha;SCHEMBL16414482;PD021280;16-(3-(Trifluoromethyl)phenoxy)-17,18,19,20-tetranor-2,3-cis-didehydroprostaglandin F1-alpha;SR-01000946511;54276-24-3;HMS3648H22;

标识符

InChIKey:
WWSWYXNVCBLWNZ-HBWANGNJSA-N
Inchi:
1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18+,19+,20-,21+/m0/s1
SMILES:
FC(C1=CC=CC(=C1)OC[C@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O)(F)F

(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(3S)-3-hydroxy-4-[3-(trifl uoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid(54276-24-3)物化性质

计算特性

  • 精确分子量 : 458.19162313g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 11
  • 同位素质量 : 458.19162313g/mol
  • 重原子数量 : 32
  • 复杂度 : 636
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 2
  • 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) : 2.9
  • 拓扑分子极性表面积 : 107Ų

(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(3S)-3-hydroxy-4-[3-(trifl uoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid(54276-24-3)推荐厂家 更多厂家(4)

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