基本情報
- CAS
66097-68-5- 標準SMILES
Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O- InChIKey
RZCIEJXAILMSQK-JAGXHNFQSA-N- 分子式
- C10H17N2O15P3
- 平均分子量
- 498.17 g/mol
- 単同位体質量
- 497.98417883
概要
structure
名称と識別子
- 優先名称
- Arabinosylthymine 5'-triphosphate
- IUPAC
- [[(2R,3S,4S,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- 英語名
- arabinosylthymine 5'-triphosphate
- 分子式
- C10H17N2O15P3
- 分子量
- 498.17
名称と別名
Ara-ttpAra ttpArabinosylthymine 5'-triphosphate66097-68-5DTXSID009845932,4(1H,3H)-Pyrimidinedione, 1-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-arabinofuranosyl)-5-methyl-RefChem:113668DTXCID5014118071 beta-D-arabinofuranosylthymine 5'-triphosphate1beta-D-Arabinofuranosylthymine 5'-triphosphate[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateSCHEMBL4461391
名称をさらに表示
2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-arabinofuranosyl]-5-methyl-
1-beta.-D-(Arabinofuranosyl)thymine, 5'-triphosphate[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-arabinofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-arabinofuranosyl]-5-methyl-
物性
構造計算による物性
- XLogP
- -5.8
- 極性表面積
- 259 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 15
- 回転可能結合数
- 8
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 884
関連反応
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