Acetic acid (2R,3R,4R,5R)-3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-YL)-tetrahydro-furan-2-ylmethyl ester
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
- 単同位体質量
- 537.97522
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
- 形式電荷
- 0
- 複雑度
- 659
関連反応
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