204845-95-4 (6-苄氧基-9-[(1S,3R,4S)-2-亚甲基-4-苄氧基-3-苄氧基甲基环戊基]-9H-嘌呤-2-胺,3,4,11-Phenylmethoxy Entecavir)

CAS号:
204845-95-4
中文名称:
6-苄氧基-9-[(1S,3R,4S)-2-亚甲基-4-苄氧基-3-苄氧基甲基环戊基]-9H-嘌呤-2-胺
英文名称:
3,4,11-Phenylmethoxy Entecavir
分子式:
C33H33N5O3
分子量:
547.646827459335

6-苄氧基-9-[(1S,3R,4S)-2-亚甲基-4-苄氧基-3-苄氧基甲基环戊基]-9H-嘌呤-2-胺(204845-95-4)名称与标识符

名称

中文别名:
6-苄氧基-9-[(1S,3R,4S)-2-亚甲基-4-苄氧基-3-苄氧基甲基环戊基]-9H-嘌呤-2-胺;恩替卡韦中间体8;6-苄氧基-9-((1S,3R,4S)-2-亚甲基-4-苄氧基-3-苄氧基甲基环戊基)-9H-嘌呤-2-胺;恩替卡韦 中间体-7.5;恩替卡韦-6;恩替卡韦-8;恩替卡韦中间体;恩替卡韦中间体八;
英文别名:
6-(Benzyloxy)-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-9H-purin-2-amine;6-(Benzyloxy)-9-(1S,3R,4S)-4-(benzyloxy)-3-(benzyoxymethyl)-2-methylenecyclopentyl)-9H-purin-2-amine;6-(Benzyloxy)-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-9H-purine-2-amine;9H-Purine-2-amine, 9-[(1S, 3R, 4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy);6-(benzyloxy)-9-[(1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-Methylenecyclopentyl]-9H-purin-2-amine;Entecavir-8;6-(Benzyloxy)-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)-methyl)-2-methylenecyclopentyl)-9H-purin-2-amine;9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine;9H-Purin-2-amine, 9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-;Entecavir Intermediate VIII;9-[(1S,3R,4S)-2-Methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-9H-Purin-2-amine;9H-Purin-2-amine,9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-,[1S-(1a,3a,4b)]-;6-(Benzyloxy)-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylidenecyclopentyl}-9H-purin-2-amine;204845-95-4;9-[(1S, 3R, 4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine;CS-0165036;AKOS015839410;C33H33N5O3;DTXSID70676892;SCHEMBL22343514;AKOS015896672;AC-5923;6-(benzyloxy)-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-9H-purin-2-amine? (Entecavir Impurity pound(c);

标识符

MDL:
MFCD22056678
InChIKey:
NZZOWGOYNQDEDC-AWCRTANDSA-N
Inchi:
1S/C33H33N5O3/c1-23-27(21-39-18-24-11-5-2-6-12-24)29(40-19-25-13-7-3-8-14-25)17-28(23)38-22-35-30-31(38)36-33(34)37-32(30)41-20-26-15-9-4-10-16-26/h2-16,22,27-29H,1,17-21H2,(H2,34,36,37)/t27-,28-,29-/m0/s1
SMILES:
O(CC1C=CC=CC=1)[C@H]1C[C@@H](C(=C)[C@@H]1COCC1C=CC=CC=1)N1C=NC2C(=NC(N)=NC1=2)OCC1C=CC=CC=1

6-苄氧基-9-[(1S,3R,4S)-2-亚甲基-4-苄氧基-3-苄氧基甲基环戊基]-9H-嘌呤-2-胺(204845-95-4)物化性质

实验特性

  • LogP : 6.24050
  • PSA : 97.31000
  • 折射率 : 1.653
  • 沸点 : 750.8°C at 760 mmHg
  • 闪点 : 407.8 °C
  • 密度 : 1.26

计算特性

  • 精确分子量 : 533.24300
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 11
  • 同位素质量 : 547.258
  • 重原子数量 : 41
  • 复杂度 : 813
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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) : 4.8
  • 拓扑分子极性表面积 : 97.3A^2

6-苄氧基-9-[(1S,3R,4S)-2-亚甲基-4-苄氧基-3-苄氧基甲基环戊基]-9H-嘌呤-2-胺(204845-95-4)安全信息

6-苄氧基-9-[(1S,3R,4S)-2-亚甲基-4-苄氧基-3-苄氧基甲基环戊基]-9H-嘌呤-2-胺(204845-95-4)推荐厂家 更多厂家(19)