Acetic acid (2R,3R,4R,5R)-3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-YL)-tetrahydro-furan-2-ylmethyl ester

HCID 482588

基本情報

標準SMILES
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(I)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
BYOJIJDSBSWKKE-SDBHATRESA-N
分子式
C16H16ClIN4O7
平均分子量
538.7 g/mol

名称と識別子

優先名称
Acetic acid (2R,3R,4R,5R)-3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-YL)-tetrahydro-furan-2-ylmethyl ester
IUPAC
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate

名称と別名

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-purineorb1908123
名称をさらに表示
SCHEMBL1120598TNU0879BYOJIJDSBSWKKE-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-70297

データベース識別子

PubChem CID
482588
Nikkaji
J1.140.605J

物性

構造計算による物性

XLogP
1.3
極性表面積
132 Ų
水素結合供与体数
0
水素結合受容体数
10
回転可能結合数
8
重原子数
29

関連反応

25 件

関連ノート

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