Uridin-5'-(dihydrogenphosphat)

Uridine Monophosphate

HCID 6030CAS 58-97-9

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Grundinformationen

Standard-SMILES: O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIKey: DJJCXFVJDGTHFX-XVFCMESISA-N
Summenformel: C9H13N2O9P
Durchschnittliche Molmasse: 324,18 g/mol
Monoisotopische Masse: 324,03586663

Überblick

Uridine 5'-monophosphate is a pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a uridine 5'-phosphate and a pyrimidine ribonucleoside 5'-monophosphate. It is a conjugate acid of a uridine 5'-monophosphate(2-).

Namen und Bezeichner

Bevorzugter Name: Uridine Monophosphate
IUPAC: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Lokaler Name: Uridin-5'-(dihydrogenphosphat)
Englischer Name: Uridine 5'-monophosphate
Summenformel: C9H13N2O9P
Molmasse: 324.18

Namen und Synonyme

Uridine 5'-monophosphateUridylic acidUridine monophosphateuridine-5'-monophosphateUMP5'-UMPUMP (nucleic acid)Uridine 5'-(dihydrogen phosphate)uridylate5'Uridylic acidBRN 0047486UNII-E2OU15WN0N

Weitere Namen anzeigen

uridinemonophosphate((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl dihydrogen phosphateUMP-H5’-umpUMP.H2URIDINE-5'-PHOSPHATEUridine MonophospahteUridine 5’-monophosphteU 5'-P

EINECS 200-408-0E2OU15WN0NCHEBI:166955-24-06-00173 (Beilstein Handbook Reference)Uridylic AcidsAcids, UridylicAcid, UridylicMonophosphate, Uridine

Datenbank-Bezeichner

CAS: 58-97-9
PubChem CID: 6030
DTXSID: DTXSID20883211
ChEMBL: CHEMBL214393
ChEBI: CHEBI:16695
UNII: E2OU15WN0N
EC Number: 200-408-0
Nikkaji: J4.594B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,6
Polarare Oberfläche (TPSA): 166 Å²
H-Brücken-Donoren: 5
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 4
Schwere Atome: 21
Formalladung: 0
Komplexität: 517

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Nucleic Acids and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesAngular frequency

Physical Description · 2 Einträge

Solid; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section · 5 Einträge

169.81 Å² [M+H]+ [CCS Type: DT; Method: stepped-field]

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

168 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]

165.7 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

164.1 Å² [M-2H+Na]-

Physikochemische Eigenschaften

Schmelzpunkt: 202 °C · 202°C (rough estimate)
Dichte: 1.865 · 1.865±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
Löslichkeit: 2 O: · H2O: soluble50mg/mL, clear, colorless
Aggregatzustand: solid
pka: 1 · pK1:6.63 (25°C)
Farbe: White to Off-White
Biologische Quelle: natural (organic)
Wasserlöslichkeit: 2 O: · H2O: soluble 50mg/mL, clear, colorless
InChI: InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey: DJJCXFVJDGTHFX-XVFCMESISA-N
SMILES: P(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O)(O)(O)=O
CAS Datenbank: 58 · 58-97-9
EPA chemische Informationen: 5 · 5'-Uridylic acid (58-97-9)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information5'-Uridylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryIntraperitoneal lethal-dose (mouse) > 1,000 mg/kg; [RTECS]

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29349990
RTECS-Nr.: YU8088000
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsPlacenta

Cellular LocationsCytoplasm

Metabolite PathwaysAmikacin Action Pathway

Verwendung und Herstellung

UsesNucleoside found throughout nature; [Merck Index]

General Manufacturing Information5'-Uridylic acid: INACTIVE

Anwendungen

VerwendenBiochemical research.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

uridine 5'-(phosphoimidazolate)Uridin-5'-(tetrahydrogentriphosphat)

Nachgelagerte Produkte

Inosin 5'-monophosphatdinatriumsalzhydrat Uridin-5'-(tetrahydrogentriphosphat)2',3'-cyclic UMP Uridin-3'-(dihydrogenphosphat)Uridin-5'-(trihydrogendiphosphat)Uridin-5'-(dinatriumdihydrogentriphosphat)

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Ergänzende Hinweise · 1 Eintrag

DefinitionThe monophosphoric ester of uracil, i.e., the nucleotide containing uracil-d-ribose and phosphoric acid. The phosphate may be esterified to either the 2, 3, or 5 carbon of ribose, yielding uridine-2′-phosphate, uridine-3′phosphate, and uridine-5′-phosphate, respectively.