CAS: 5987-76-8
名称: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate
SMILES:
CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C)OC(=O)C分子加工
分子式
C16H16ClIN4O7
分子量
538.68
精确质量
537.9752
XLogP
1.41
TPSA
131.73
氢键给体数
0
氢键受体数
10
可旋转键
5
重原子数
29
环数
3
芳香环
2
饱和环
1
脂环
1
立体中心
4
未定义立体
4
形式电荷
0
杂原子数
13
共价单元
1
sp3占比
0.5
摩尔折射率
104.7
补充信息
InChIKey: BYOJIJDSBSWKKE-SDBHATRESA-N
同义词
5987-76-86-Chloro-2-iodo-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purineACETIC ACID (2R,3R,4R,5R)-3,4-DIACETOXY-5-(6-CHLORO-2-IODO-PURIN-9-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTERMFCD03701153[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate2',3',5'-Tri-O-acetyl-6-chloro-2-iodopurine Riboside6-Chloro-2-iodo-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purine(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-chloro-2-iodo-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate6-Chloro-2-iodo-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purineC16H16ClIN4O76-Chloro-2-iodo-9-(2,3,5-tri-O-acetyl)-beta-D-ribofuranosyl-9H-purineorb1908123SCHEMBL1120598TNU0879BYOJIJDSBSWKKE-SDBHATRESA-NAKOS015967379AS-7060NC16519[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-chloro-2-iodo-9H-purin-9-yl)oxolan-2-yl]methyl acetateDA-70297SY041377F12901F8580616-Chloro-2-iodo-9-b-D-ribofuranosyl-9H-purine triacetate9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-6-chloro-2-iodopurine6-Chloro-2-iodo-9-(2',3',5'-tri-O-acetyl-?-D-ribofuranosyl)purine6-Chloro-2-iodo-9-(2,3,5-tri-O-acetyl-?-D-ribofuranosyl)-9H-purine6-chloro-2-iodo-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl) purine6-Chloro-2-iodo-9-(2a?3a?5a?tri-O-acetyl-I(2)-D-ribofuranosyl)purine9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-6- chloro-2-iodopurine
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