基本情報
- 標準SMILES
Nc1c(N[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)[nH]c(=O)[nH]c1=O- InChIKey
LZEXYCAGPMYXLX-UMMCILCDSA-N- 分子式
- C9H15N4O9P
- 平均分子量
- 354.21 g/mol
- 単同位体質量
- 354.05766507
概要
5-amino-6-(5-phospho-beta-D-ribosylamino)uracil is an N-glycosyl compound that consists of 5,6-diaminouracil in which one of the hydrogens on the 6-amino function is substituted by a 5-phospho-beta-D-ribosyl residue. It has a role as an Escherichia coli metabolite. It is a N-glycosyl compound, an aminouracil and a ribose monophosphate. It is a conjugate acid of a 5-amino-6-(5-phospho-D-ribosylamino)uracil(2-).
名称と識別子
- 優先名称
- 5-Amino-6-(5'-phosphoribosylamino)uracil
- IUPAC
- [(2R,3S,4R,5R)-5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
名称と別名
5-amino-6-(5-phospho-beta-D-ribosylamino)uracil5-Amino-6-(5-phosphoribosylamino)uracil5-amino-6-(5'-phosphoribosylamino)uracilCHEBI:18337N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine5-amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphateN-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-beta-D-ribofuranosylamine 5-(dihydrogen phosphate){[(2R,3S,4R,5R)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid(((2R,3S,4R,5R)-5-((5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)-3,4-dihydroxyoxolan-2-yl)methoxy)phosphonic acid(((2S,3S,4R,5R)-5-((5-amino-2,6-dihydroxypyrimidin-4-yl)amino)-3,4-dihydroxyoxolan-2-yl)methoxy)phosphonate{[(2S,3S,4R,5R)-5-[(5-amino-2,6-dihydroxypyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonateRefChem:101969
名称をさらに表示
N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine;N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-beta-D-ribofuranosylamine 5-(dihydrogen phosphate)[(2R,3S,4R,5R)-5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphateC01268DTXSID501344698Q27103011
物性
構造計算による物性
- XLogP
- -4.4
- 極性表面積
- 213 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 11
- 回転可能結合数
- 5
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 590
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