Uridin-5'-(trihydrogendiphosphat)

Uridine Diphosphate

HCID 6031CAS 58-98-0

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Grundinformationen

Standard-SMILES: O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIKey: XCCTYIAWTASOJW-XVFCMESISA-N
Summenformel: C9H14N2O12P2
Durchschnittliche Molmasse: 404,16 g/mol
Monoisotopische Masse: 404,00219788

Namen und Bezeichner

Bevorzugter Name: Uridine Diphosphate
IUPAC: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Lokaler Name: Uridin-5'-(trihydrogendiphosphat)
Englischer Name: UDP
Summenformel: C9H14N2O12P2
Molmasse: 404.16

Namen und Synonyme

58-98-0URIDINE DIPHOSPHATEuridine-5'-diphosphateUridine PyrophosphateURIDINE_DIPHOSPHATE5G0F599A1YDTXSID001018933[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateDiphosphate, UridinePyrophosphate, Uridine((2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphono hydrogen phosphateRefChem:901480

Weitere Namen anzeigen

uridinediphosphateUDP/Uridine DiphosphateUridine 5'-Diphosphate15'-URIDYLATE DIPHOSPHATE5′-UDP/Uridine 5′-Diphosphate5'-uridylate diphosphate (UDP)Uridine5'-Diphosphate Ester(UDP)uridine 5'-(trihydrogen pyrophosphate)

DTXCID501476946Uridine 5'-diphosphateUridine 5'-(trihydrogen diphosphate)UDP5'-UDPUridine 5'-pyrophosphate((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphateUridine 5'-pyrophosphoric acid

Datenbank-Bezeichner

CAS: 58-98-0
PubChem CID: 6031
ChEMBL: CHEMBL130266
ChEBI: CHEBI:17659
UNII: 5G0F599A1Y
EC Number: 200-409-6
Nikkaji: J4.595K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4,7
Polarare Oberfläche (TPSA): 212 Å²
H-Brücken-Donoren: 6
H-Brücken-Akzeptoren: 12
Frei drehbare Bindungen: 6
Schwere Atome: 25
Formalladung: 0
Komplexität: 675

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Collision Cross Section · 4 Einträge

174 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]

176.5 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

181.7 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；178.6 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；172.9 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；178.5 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；176.9 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

178.1 Å² [M+Na]+；176.5 Å² [M+H]+；178.7 Å² [M-2H+Na]-；172.9 Å² [M-H]-；181.7 Å² [M+Na]+

Physikochemische Eigenschaften

storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Dichte: 2.002 · 2.002±0.06 g/cm3(Predicted)
pka: 1.04 · 1.04±0.50(Predicted)

Sicherheit und Regulatorisches

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsPlacenta；Prostate；Thyroid Gland

Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Golgi apparatus；Lysosome；Mitochondria；Nucleus

Metabolite Pathways · 1 Eintrag

17-Beta Hydroxysteroid Dehydrogenase III Deficiency；Acetaminophen Metabolism Pathway；Acute Intermittent Porphyria；Amino Sugar Metabolism；Androgen and Estrogen Metabolism；Androstenedione Metabolism；Aromatase deficiency；Artemether Metabolism Pathway；Beta Ureidopropionase Deficiency；Celecoxib Action Pathway；Total 63 pathways, visit the HMDB page for details