142217-81-0 (恩替卡韦中间体N8,2-amino-9-[(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylidenecyclopentyl]-9H-purin-6-ol)

CAS号:
142217-81-0
中文名称:
恩替卡韦中间体N8
英文名称:
2-amino-9-[(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylidenecyclopentyl]-9H-purin-6-ol
分子式:
C26H27N5O3
分子量:
457.524285554886

恩替卡韦中间体N8(142217-81-0)名称与标识符

名称

中文别名:
恩替卡韦中间体N8;恩替卡韦-8;恩替卡韦中间体N-1;2-氨基-1,9-二氢-9-[(1S,3R,4S)-4-苄氧基-3-苄氧基甲基-2-亚甲基环戊基]-6H-嘌呤-6-酮;恩替卡韦中间体N8,2-氨基-1,9-二氢-9-[(1S,3R,4S)-4-苄氧基-3-苄氧基甲基-2-亚甲基环戊基]-6H-嘌呤-6-酮;1-苄基-4-哌啶甲酸甲酯;恩替卡韦 中间体-8;恩替卡韦-9;恩替卡韦中间体;恩替卡韦中间体8;恩替卡韦中间体E8;2-氨基-9-((1S,3R,4S)-4-(苄氧基)-3-(苄氧基甲基)-2-亚甲基环戊基)-1H-嘌呤-6(9H)-酮;3',5'-二-O-苄恩替卡韦;3'.5'-二-O-苄基恩替卡韦;恩替卡韦中间体9;
英文别名:
2-Amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one;(1S,3R,4S)-2-amino-9-[4-(benzyloxy)-3-(benzyloxymethyl)-2-methylidene-cyclopentyl]-3H-purin-6-one;Entecavir intermediate N8;2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one;2-Amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)-methyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one;2-amino-9-((1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one;3’,5’-Di-O-benzyl Entecavir;6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-;Entecavir Intermediate VIII;Entecavir N8;2-AMINO-9-((1S,3R,4S)-4-(BENZYLOXY)-3-(BENZYLOXYMETHYL)-2-METHYLENECYCLOPHENTYL)-1H-PURIN-6(9H)-ONE;3',5'-Di-O-benzyl Entecavir;Entecavir E8;Entecavir InterMediate N-1;Entecavir InterMediate VIII IsoMer;Entecavir-9;6H-Purin-6-one,2-amino-1,9-dihydro-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-,[1S-(1a,3a,4b)]-;2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6H-Purin-6-one;2-amino-9-[(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylidenecyclopentyl]-9H-purin-6-ol;AKOS015896700;2-Amino-1,9-dihydro-9-(4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene cyclopentyl)-6H-purine-6-one, (1S,3R,4S)-;AM84385;CS-0158057;6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-((phenylmethoxy)methyl)cyclopentyl)-;Q27280683;UNII-IEC6P1L62X;W-205570;2-amino-1,9-dihydro-9-((1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-6h-purin-6-one;6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-; 3',5'-Di-O-Benzyl Entecavir; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-, [1S-(1alpha,3alpha,4beta)]-;2-amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one;142217-81-0;IEC6P1L62X;2-Amino-1,9-dihydro-9-((1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene cyclopentyl)-6H-purine-6-one;SCHEMBL8781248;AKOS025402354;AC-8329;3',5'-Di-O-Benzylentecavir;C72661;C26H27N5O3;2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one;DS-18052;MFCD11977291;2-AMINO-9-[(1S,3R,4S)-4-(BENZYLOXY)-3-[(BENZYLOXY)METHYL]-2-METHYLIDENECYCLOPENTYL]-1H-PURIN-6-ONE;

标识符

MDL:
MFCD11977291
InChIKey:
KROVOOOAPHSWCR-FKBYEOEOSA-N
Inchi:
1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/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)=O

恩替卡韦中间体N8(142217-81-0)物化性质

实验特性

  • LogP : 4.20240
  • PSA : 108.05000
  • 折射率 : 1.679
  • 密度 : 1.34

计算特性

  • 精确分子量 : 457.21100
  • 氢键供体数量 : 3
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 8
  • 同位素质量 : 457.21138974g/mol
  • 重原子数量 : 34
  • 复杂度 : 762
  • 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) : 2.2
  • 拓扑分子极性表面积 : 104Ų

恩替卡韦中间体N8(142217-81-0)海关数据

海关编码:
29335990

恩替卡韦中间体N8(142217-81-0)生产方法和用途

用途:
恩替卡韦中间体。