기본 정보
- CAS
5542-28-9- 표준 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- 분자식
- C20H28N10O19P4
- 평균 분자량
- 836.4 g/mol
- 단동위원소 질량
- 836.04826669
개요
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-).
이름 및 식별자
- 우선 이름
- 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
- 영어명
- [[[[(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
- 분자식
- C20H28N10O19P4
- 분자량
- 836.39
이름 및 동의어
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
이름 더 보기
Diadenosine tetraphoshateAP4A –, Solid (5 mg)AP4A –, Solid (25 mg)AP4A –, Solution, L pack
물성
구조 계산 물성
- XLogP
- -8.3
- 극성 표면적
- 434 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 27
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,410
실험 및 물리화학적 성질
LogP-1.475
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 1250.6 · 1250.6±75.0 °C(Predicted)
- 밀도
- 2.61 · 2.61±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.7 · 0.70±0.50(Predicted)
화학 및 산업
약리 정보
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.
공급사5 곳
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]
추가 설명
정의ChEBI: A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P1- and P4-positions.
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