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9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤 | 16321-99-6

9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤
2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)purine
16321-99-6
C16H18ClN5O7
427.7964
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤结构式
125307287
名称和标识符
MDL MFCD03425473
InChIKey HLVGVJFVAKPFOZ-SDBHATRESA-N
Inchi 1S/C16H18ClN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1
SMILES ClC1C2=C(N=C(N([H])[H])N=1)N(C([H])=N2)[C@@]1([H])[C@@]([H])([C@@]([H])([C@@]([H])(C([H])([H])OC(C([H])([H])[H])=O)O1)OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O
别名信息
- 中文别名 -
  • 2'',3'',5''-三-O-乙酰-2-氨基-6-氯嘌呤核苷
  • 2',3',5'-三-O-乙酰-2-氨基-6-氯嘌呤核苷
  • (2R,3R,4R,5R)-2-(乙酰氧基甲基)-5-(2-氨基-6-氯-9H-嘌呤-9-基)-四氢呋喃-3,4-二基 二乙酸酯
  • 2 ,3 ,5 -三-O-乙酰-2-氨基-6-氯嘌呤核苷
  • 2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside 2',3',5'-三-O-乙酰-2-氨基-6-氯嘌呤核苷
  • 9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤
  • 2-氨基-6-氯-9-(2',3',5'-三-O-乙酰基-beta-D-呋喃核糖基)嘌呤
- 英文别名 -
  • (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
  • 2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside
  • 2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine
  • 6-CHLORO-6-DEOXY-2’,3’,5’-TRI-O-ACETYLGUANOSINE
  • 9H-Purin-2-amine,6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-
  • NULL
  • [(2R,3S,4S,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
  • ACETIC ACID (2R,3R,4R,5R)-3,4-DIACETOXY-5-(2-AMINO-6-CHLORO-PURIN-9-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER
  • 2-Amino-6-chloropurine ribonucleoside triacetate
  • 2',3',5'-Tri-O-acetyl-6-chloroguanosine
  • NSC 70388
  • 2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purine
  • [(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2-amino-6-chloro-9H-purin-9-yl)oxolan-2-yl]methyl acetate
  • HLVGVJFVAKPFOZ-SDBHATRESA-N
  • C16H18ClN5O7
  • [(2r,3r,4r,5r)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
  • 8292AA
  • 9-(2,3,5-tri- O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine
  • F12905
  • AS-7059
  • 2-Chloro-6-amino-9-(2',3',5'-tri-O-acetyl- beta -D-ribofuranosyl)purine
  • 2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)purine
  • 2',3',5'-Tri-O-acetyl-6-chloro-6-deoxyguanosine
  • A810454
  • 16321-99-6
  • MFCD03425473
  • 9-(2',3',5'-Tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine
  • AKOS015967409
  • 9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine
  • 2-Amino-6-chloropurine-9-(2 inverted exclamation mark ,3 inverted exclamation mark ,5 inverted exclamation mark -tri-O-acetyl)-riboside
  • 2-amino-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-6-chloro-9H-purine
  • (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyldiacetate
  • SCHEMBL1120550
  • T2690
  • 9-(2',3',5'-Tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-(9H)-purine
  • 9H-Purin-2-amine, 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-
  • 2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl) purine
  • 2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purine
  • (2R,3R,4R,5R)-4-acetyloxy-5-(acetyloxymethyl)-2-(2-amino-6-chloropurin-9-yl)oxolan-3-yl acetate
  • 2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-?-D-ribofuranosyl)purine
物化性质
实验特性
LogP 0.96700
PSA 157.75000
折射率 1.69
沸点 637°C at 760 mmHg
熔点 146.0 to 150.0 deg-C
闪点 339°C
溶解度 几乎不溶 (0.02 g/L) (25 ºC),
密度 1.70±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 427.08900
氢键供体数量 1
氢键受体数量 11
可旋转化学键数量 8
同位素质量 427.089
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) 0.2
拓扑分子极性表面积 158
安全信息
专业数据库参考
PubChemId 125307287
参考资料
Reaxys RN 1234032
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