基本情報
- CAS
133488-19-4- 標準SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N1C(=O)c2ccccc2C1=O- InChIKey
WNXAFBFUDGBOTL-YRXWBPOGSA-N- 分子式
- C23H23N3O9
- 平均分子量
- 485.4 g/mol
- 単同位体質量
- 485.14342932
名称と識別子
- 優先名称
- 2,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-5-methyl-
- IUPAC
- [(2R)-2-acetyloxy-2-[(2S,3R,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
名称と別名
133488-19-42,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-5-methyl-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-alpha-D-arabino-hexafuranosyl)thymineDiOAcPhthN-D-arab-ddT deriv.DTXSID609281351-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-.alpha.-D-arabino-hexafuranosyl)thymine[(2R)-2-acetoxy-2-[(2S,3R,5S)-3-(1,3-dioxoisoindolin-2-yl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate1-[5,6-Di-O-acetyl-2,3-dideoxy-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one1-[5,6-Di-O-acetyl-2,3-dideoxy-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one2,4(1H,3H)-Pyrimidinedione, 1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-.alpha.-D-arabino-hexofuranosyl]-5-methyl-
データベース識別子
- CAS
133488-19-4- PubChem CID
- 452872
- DTXSID
DTXSID60928135- Nikkaji
- J2.045.671J
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 149 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 9
- 回転可能結合数
- 8
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 969
関連反応
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