5'-Adp
기본 정보
- CAS
58-64-0- 표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N- 분자식
- C10H15N5O10P2
- 평균 분자량
- 427.2 g/mol
- 단동위원소 질량
- 427.02941569
개요
ADP is a purine ribonucleoside 5'-diphosphate having adenine as the nucleobase. It has a role as a human metabolite and a fundamental metabolite. It is a purine ribonucleoside 5'-diphosphate and an adenosine 5'-phosphate. It is a conjugate acid of an ADP(3-) and an ADP(2-).
이름 및 식별자
- 우선 이름
- 5'-Adp
- IUPAC
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
- 영어명
- ADP
- 분자식
- C10H15N5O10P2
- 분자량
- 427.2
이름 및 동의어
Adenosine 5'-diphosphateAdenosine diphosphate58-64-0Adenosine 5'-(trihydrogen diphosphate)adenosine pyrophosphate5'-Adpadenosine 5'-pyrophosphate61D2G4IYVHADENOSINE, 5'-(TRIHYDROGEN PYROPHOSPHATE)[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateDTXSID608832105'-Pyrophosphate, Adenosine
이름 더 보기
Adenosine 5＇-diphosphate5’-adenylphosphoricacidADPADPANT 4ADP-HADP.H2
ADP, Magnesium((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphono hydrogen phosphateDiphosphate, AdenosinePyrophosphate, AdenosineRefChem:912857Adenosine 5' PyrophosphateDTXCID301022759(((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)phosphonic acid
데이터베이스 식별자
- CAS
58-64-0- PubChem CID
- 6022
- DTXSID
DTXSID60883210- ChEMBL
CHEMBL14830- ChEBI
CHEBI:16761- UNII
- 61D2G4IYVH
- EC Number
- 200-392-5
- Nikkaji
- J10.683F
물성
구조 계산 물성
- XLogP
- -4.6
- 극성 표면적
- 233 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 637
실험 및 물리화학적 성질
Physical DescriptionSolid
Collision Cross Section
188.61 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
181 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
186.1 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
187 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
184.8 Ų [M-H]-
물리화학적 성질
- 녹는점
- 145 oC · >145oC (dec.)
- 끓는 점
- 196 °C · 196°C
- 밀도
- 2.49 · 2.49±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨), 물(약간 용해됨)
- 산도 계수 (pKa)
- 2 · pK2: 4.2(-1);pK3: 7.20(-2) (25°C)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- Merck
- 13 · 13,155
- BRN
- 67722 · 67722
- InChIKey
- XTWYTFMLZFPYCI-KQYNXXCUSA-N
- SMILES
- C(OP(=O)(O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@H](O)[C@@H]1O
- EPA
- 5 · Adenosine 5'-(trihydrogen diphosphate) (58-64-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: Adenosine 5'-(trihydrogen diphosphate)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AU7467000
- HS 번호
- 29349990
- safety_code
- 24/25
- 기존화학 물질
- KE-00234
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsCytoplasm
Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)
용도 및 제조
General Manufacturing InformationAdenosine 5'-(trihydrogen diphosphate): ACTIVE
응용 분야
용도Adenosine 5′-diphosphate (5′-ADP or ADP) was used as a test compound for studying the endothelium-dependent vascular response in salt sensitive (DS) and salt resistant Dahl rats (DR). The product was used to study the different P2-purinergic receptor subtypes on canine vascular smooth muscle and endothelium.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase.
관련 반응
24건
화합물 노트
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