Deoxythymidine triphosphate (HCID 1151)

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基本情報

標準SMILES: Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
InChIKey: NHVNXKFIZYSCEB-UHFFFAOYSA-N
分子式: C10H17N2O14P3
平均分子量: 482.17 g/mol
単同位体質量: 481.98926421

概要

thymidine triphosphate has been reported in Homo sapiens with data available.

名称と識別子

優先名称: Deoxythymidine triphosphate
IUPAC: [hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

名称と別名

Deoxythymidine triphosphate[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate(hydroxy-((3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl)methoxy)phosphoryl) phosphono hydrogen phosphateRefChem:10831561-[2-deoxy-5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dione27821-54-1SCHEMBL21275938DTXSID70861903{[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(4-hydroxy-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acidDB-085696[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate154117-14-3

データベース識別子

PubChem CID: 1151
DTXSID: DTXSID70861903

物性

構造計算による物性

XLogP: -5
極性表面積: 239 Å²
水素結合供与体数: 6
水素結合受容体数: 14
回転可能結合数: 8
重原子数: 29
形式電荷: 0
複雑度: 853

化合物ノート

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