Adenosin-5'-(trihydrogendiphosphat)
5'-Adp
Grundinformationen
- CAS
58-64-0- Standard-SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N- Summenformel
- C10H15N5O10P2
- Durchschnittliche Molmasse
- 427,2 g/mol
- Monoisotopische Masse
- 427,02941569
Überblick
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-).
Namen und Bezeichner
- Bevorzugter Name
- 5'-Adp
- IUPAC
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
- Lokaler Name
- Adenosin-5'-(trihydrogendiphosphat)
- Englischer Name
- ADP
- Summenformel
- C10H15N5O10P2
- Molmasse
- 427.2
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,6
- Polarare Oberfläche (TPSA)
- 233 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 637
Experimentelle und physikochemische Eigenschaften
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]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 oC · >145oC (dec.)
- Siedepunkt
- 196 °C · 196°C
- Dichte
- 2.49 · 2.49±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly)
- pka
- 2 · pK2: 4.2(-1);pK3: 7.20(-2) (25°C)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- AU7467000
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAll Tissues
Cellular LocationsCytoplasm
Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)
Verwendung und Herstellung
General Manufacturing InformationAdenosine 5'-(trihydrogen diphosphate): ACTIVE
Anwendungen
VerwendenAdenosine 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.
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