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(2R,5S)-(1R,2S,5R)-5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶基)-1,3-噻烷-2-羧酸(1R,2S,5R)-5-甲基-2-(1-甲基乙基)环己酯 | 764659-72-5

(2R,5S)-(1R,2S,5R)-5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶基)-1,3-噻烷-2-羧酸(1R,2S,5R)-5-甲基-2-(1-甲基乙基)环己酯
(2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester
764659-72-5
C18H26FN3O4S
399.4801
42629214
名称和标识符
MDL MFCD09753268
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 S1C([H])([H])C([H])(N2C(N=C(C(=C2[H])F)N([H])[H])=O)OC1([H])C(=O)OC1([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])[H]
别名信息
- 中文别名 -
  • (2R,5S)-(1R,2S,5R)-5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶基)-1,3-噻烷-2-羧酸(1R,2S,5R)-5-甲基-2-(1-甲基乙基)环己酯
  • (2R,5S)-.5-氟-1-(2R,5S)-[2-甲醇薄荷酯-1,3-氧硫环-5-酰]胞嘧啶
  • (2R,5S)-5-(4-氨基-5-氟-2-酮代-1(2H)-嘧啶基)-1,3-氧硫杂环戊烷-2-羧酸 (1R,2S,5R)-5-甲基-2-(1-甲基乙基)环己酯
  • (2R,5S)-5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶基)-1,3-噁噻烷-2-羧酸 (1R,2S,5R)-5-甲基-2-(1-甲基乙基)环己酯
  • (2R,5S)-5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶基)-1,3-噻烷-2-羧酸 (1R,2S,5R)-5-甲基-2-(1-甲基乙基)环己酯
  • 恩曲他滨中间体FCME
  • (2R,5S)-5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶基)-1,3-噁噻烷-2-羧酸
- 英文别名 -
  • (2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
  • (2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-
  • (2R,5S)-5-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)-1,3-OXATHIOLANE-2-CARBOXYLIC ACID (1R,2S,5R)-5-METHYL-2-(1-METHYLE...
  • (2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)c
  • (2R,5S)-5-(4-AMino-5-fluoro-2-oxo-1(2H)-pyriMidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-Methylethyl)cyclohexyl Ester
  • [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
  • FCME
  • emtricitabine intermediate FCME
  • 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)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
  • (2S,5R)-(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyri
  • CID 53401165
  • DS-7501
  • (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
  • Emtricitabine L-Menthyl Ester ((2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester)
  • [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
  • MFCD09753268
  • 79RVV445GQ
  • 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-
  • (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
  • (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
  • Emtricitabine Menthyl Ester
  • (2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
  • Emtricitabine L-Menthyl Ester
  • (2R,5S)-5-(4-AMINO-5-FLUORO-2-OXO-1,2-DIHYDRO-1-PYRIMIDINYL)-1,3-OXATHIOLANE-2-CARBOXYLIC ACID (1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL ESTER
  • 764659-72-5
  • AKOS025402548
  • (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-Oxathiolane-2-carboxylic acid,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
  • SCHEMBL2488629
  • D70728
物化性质
实验特性
PSA 96.44
沸点 508.5±60.0°C at 760 mmHg
密度 1.47
计算特性
精确分子量 399.16298
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 399.16280565g/mol
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 5
不确定原子立构中心数量 0
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
专业数据库参考
PubChemId 42629214
(2R,5S)-(1R,2S,5R)-5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶基)-1,3-噻烷-2-羧酸(1R,2S,5R)-5-甲基-2-(1-甲基乙基)环己酯推荐生产厂家
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