基本情報
- CAS
5542-28-9- 標準SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O- InChIKey
YOAHKNVSNCMZGQ-XPWFQUROSA-N- 分子式
- C20H28N10O19P4
- 平均分子量
- 836.4 g/mol
- 単同位体質量
- 836.04826669
概要
P(1),P(4)-bis(5'-adenosyl) tetraphosphate is a diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P1- and P4-positions. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-).
名称と識別子
- 優先名称
- Ap4A
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
- 現地名
- 四りん酸Oα,Oδ-ジ(5'-アデノシル)
- 英語名
- [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- 分子式
- C20H28N10O19P4
- 分子量
- 836.39
名称と別名
Diadenosine tetraphosphateAppppA5542-28-95',5'''-Diadenosine tetraphosphateAp4Aadenosine(5')tetraphospho(5')adenosinebis(5'-adenosyl)tetraphosphateDTXSID60203994P(1), P(4)-diadenosine-5'tetraphosphateADENOSINE 5'-(PENTAHYDROGEN TETRAPHOSPHATE), 5'-5'-ESTER with ADENOSINE[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)((((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy))phosphinic acid
名称をさらに表示
四りん酸Oα,Oδ-ジ(5'-アデノシル)アデノシン5'-[四りん酸Oδ-(5'-アデノシル)]5'-O-[[[(5'-アデニリル)オキシホスホニル]オキシホスホニル]オキシホスホニル]アデノシン
物性
構造計算による物性
- XLogP
- -8.3
- 極性表面積
- 434 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 27
- 回転可能結合数
- 14
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,410
実験および物理化学的性質
LogP-1.475
Physical DescriptionSolid
物理化学的性質
- 沸点
- 1250.6 · 1250.6±75.0 °C(Predicted)
- 比重(密度)
- 2.61 · 2.61±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 0.7 · 0.70±0.50(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
サプライヤー5 社
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
補足説明
定義ChEBI: A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P1- and P4-positions.
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