147126-75-8 (5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯,Emtricitabine Menthyl Ester)

CAS号:
147126-75-8
中文名称:
5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯
英文名称:
Emtricitabine Menthyl Ester
分子式:
C18H26FN3O4S
分子量:
399.480146884918

5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯(147126-75-8)名称与标识符

名称

中文别名:
5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯;(2S,5R)-5-氟胞嘧啶-1-基-[1,3]-氧硫杂环戊烷-2-羧酸孟酯;(2S,5R)-5-氟胞嘧啶-1-基-[1,3]-氧硫杂环戊烷-2-羧酸孟酯(FCME);(2R,5R)-5-氟胞嘧啶-1-基-[1,3]-;(2S,5R)-5-氟胞嘧啶-1-基-[1,3]-;5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸-5-甲基-2-异丙基环己醇酯;5S-(5-氟胞嘧啶)-1,3-氧硫杂环戊烷-2R-甲酸薄荷醇酯 (FCME);恩曲他滨中间体 F-CME;甲烷磺酸(2-二环己基膦基-2'',4'',6''-三异丙基-1,1''-联苯基)(2''-氨基-1,1''-联苯-2-基)钯(II);甲烷磺酸(2-二环己基膦基-2,4,6-三异丙基-1,1-联苯基)(2-氨基-1,1-联苯-2-基)钯(II);(2S,5R)-(1R,2S,5R)-5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸5-甲基-2-异丙基环己醇酯;(2S,5R)-5-氟胞嘧啶-1-基-[1,3]-氧硫杂环戊烷;(2S,5R)-5-氟胞嘧啶-1-基-1,3-氧硫杂环戊烷-2-羧酸孟酯(FCM;(2S,5R)-5-氟胞嘧啶-1-基-(1,3)-氧硫杂环戊烷-2-羧酸孟酯(FCME);(2R,5S)-5-氟胞嘧啶-1-基-[1,3]-氧硫杂环戊烷-2-羧酸孟酯(FCME);5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯 FCME;5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶-1,3-氧硫杂环戊烷-2-甲酸-5-甲基-2-异丙基环已醇酯(FCME);恩曲他滨中间体 F-CME (2S,5R)-5-FLUORO CYTOSINE-1-YL-[1,3]-OXATHIOLANE-2-CARBOXYLIC ACID MENTHYL ESTER;
英文别名:
(2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate;FCME;5-(4-amino-5-fluoro-2-oxo-1(2h)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester;[1r-[1(2s*,5r*),2beta,5alpha]]-5-(4-amino-5-fluoro-2-oxo-1(2h)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester;(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester (FCME);(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester;(2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carbox...;(5-methyl-2-propan-2-ylcyclohexyl) 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate;V0970;The intermediate of his bin;EMtricitabine InterMediate- FCME;[1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-AMino-5-fluoro-2-oxo-1(2H)-;(1R,2S,5R)-MENTHYL-5(S)-FLUOROCYTOSINE-1-YL-[1,3]-OXATHIOLANE-2R-CARBOXYLATE;(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid methyl ester;(1''R,2''S,5''R)-MENTHYL-(2R-5R)-(4-AMINO-2-OXO-2H-5-FLUORO-PYRIMIDIN-1-YL)-[1,3]OXATHIOLANE;(2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl);[(1R)-5-Methyl-2-propan-2-ylcyclohexyl] (2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathio;[(1R)-5-Methyl-2-propan-2-ylcyclohexyl] (2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate;5-Fluoro ent-Lamivudine Acid D-Menthol Ester;(5S)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate;5-Methyl-2-(propan-2-yl)cyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate;AS-17614;(2S,5R)-(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate;BCP10738;[1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carbox;DTXSID60694828;(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester(FCME);AKOS025293894;SB48778;SCHEMBL2319744;AC-24576;147126-75-8;764659-79-2;2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate;(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester (FCME);(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1,2-dihydropyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate;(5S)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate;1704050-76-9;2-ISOPROPYL-5-METHYLCYCLOHEXYL 5-(4-AMINO-5-FLUORO-2-OXOPYRIMIDIN-1-YL)-1,3-OXATHIOLANE-2-CARBOXYLATE;

标识符

MDL:
MFCD09753149
InChIKey:
AUTCQXVTOIJYOT-UHFFFAOYSA-N
Inchi:
1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)
SMILES:
S1CC(N2C(N=C(C(=C2)F)N)=O)OC1C(=O)OC1CC(C)CCC1C(C)C

5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯(147126-75-8)物化性质

实验特性

  • LogP : 3.13790
  • PSA : 121.74000
  • 折射率 : 1.645
  • 沸点 : 519.2°C at 760 mmHg
  • 蒸气压 : 0.0±1.3 mmHg at 25°C
  • 闪点 : 261.3±32.9 °C
  • 密度 : 1.47

计算特性

  • 精确分子量 : 399.16300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 5
  • 同位素质量 : 399.163
  • 重原子数量 : 27
  • 复杂度 : 669
  • 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 : 5
  • 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) : 3.2
  • 拓扑分子极性表面积 : 120

5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯(147126-75-8)安全信息

5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯(147126-75-8)推荐厂家 更多厂家(45)

5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸 5-甲基-2-异丙基环己醇酯(147126-75-8)参考资料

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