161109-77-9 (2鈥?-fluoro-9-beta-D-(2,3,5-tri-p-acetyl-arabinofranosyl)adenine,(2R,3R,4S,5R)-2-(Acetoxymethyl)-5-(6-amino-2-fluoro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate)

CAS号:
161109-77-9
中文名称:
2鈥?-fluoro-9-beta-D-(2,3,5-tri-p-acetyl-arabinofranosyl)adenine
英文名称:
(2R,3R,4S,5R)-2-(Acetoxymethyl)-5-(6-amino-2-fluoro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
分子式:
C16H18FN5O7
分子量:
411.341826915741

2鈥?-fluoro-9-beta-D-(2,3,5-tri-p-acetyl-arabinofranosyl)adenine(161109-77-9)名称与标识符

名称

中文别名:
(2R,3R,4S,5R)-2-(乙酰氧基甲基)-5-(6-氨基-2-氟-9H-嘌呤-9-基)四氢呋喃-3,4-二基二乙酸酯;2鈥?-fluoro-9-beta-D-(2,3,5-tri-p-acetyl-arabinofranosyl)adenine;
英文别名:
2-Fluoro-9-β-D-(2',3',5'-tri-O-acetyl arabinofuranosyl)-adenine;(2R,3R,4S,5R)-2-(Acetoxymethyl)-5-(6-amino-2-fluoro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate;2-fluoro-ara-adenine triacetate;2-Fluoro-9-β-D-(2',3',5'-tri-O- acetyl arabinofuranosyl)-adenine;AK316234;2'-fluoro-9-beta-D-(2,3,5-tri-p-acetyl-arabinofranosyl)adenine;9H-Purin-6-amine, 2-fluoro-9-(2,3,5-tri-O-acetyl-beta-D-arabinofuranosyl)-;2-Fluoro-9-β-D-(2',3',5'-tri-O- acetyl arabinofuranosyl)-adenine;2-Fluoro-9-;A-D-(2',3',5'-tri-O- acetyl arabinofuranosyl)-adenine;DTXSID601158139;AS-72771;2-Fluoro-9-beta-D-(2',3',5'-tri-O-;(2R,3R,4S,5R)-2-(Acetoxymethyl)-5-(6-amino-2-fluoro-9H-purin-9-yl)tetrahydrofuran-3,4-diyldiacetate;[(2R,3R,4S,5R)-3,4-diacetyloxy-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl acetate;161109-77-9;acetyl arabinofuranosyl)-adenine;[(2R,3R,4S,5R)-3,4-bis(acetyloxy)-5-(6-amino-2-fluoro-9H-purin-9-yl)oxolan-2-yl]methyl acetate;C73064;2-Fluoro-9-beta-D-(2,3,5-tri-p-acetyl-arabinofranosyl)adenine;[(2R,3R,4S,5R)-3,4-BIS(ACETYLOXY)-5-(6-AMINO-2-FLUOROPURIN-9-YL)OXOLAN-2-YL]METHYL ACETATE;CS-0162369;2-Fluoro-9-(2,3,5-tri-O-acetyl-I(2)-D-arabinofuranosyl)-9H-purin-6-amine;C16H18FN5O7;AKOS027323773;

标识符

InChIKey:
LDICZLRLPNWOIS-ADGXKJENSA-N
Inchi:
1S/C16H18FN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12+,15-/m1/s1
SMILES:
FC1N=C(C2=C(N=1)N(C=N2)[C@H]1[C@H]([C@@H]([C@@H](COC(C)=O)O1)OC(C)=O)OC(C)=O)N

2鈥?-fluoro-9-beta-D-(2,3,5-tri-p-acetyl-arabinofranosyl)adenine(161109-77-9)物化性质

计算特性

  • 精确分子量 : 411.11902609g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 8
  • 同位素质量 : 411.11902609g/mol
  • 重原子数量 : 29
  • 复杂度 : 655
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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) : -0.3
  • 拓扑分子极性表面积 : 158

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