Grundinformationen
- Standard-SMILES
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Br- InChIKey
AGFIRQJZCNVMCW-UAKXSSHOSA-N- Summenformel
- C9H11BrN2O6
- Durchschnittliche Molmasse
- 323,1 g/mol
- Monoisotopische Masse
- 321,98004817
Überblick
5-bromouridine is a uridine having a bromo substituent at the 5-position. It has a role as a mutagen.
Namen und Bezeichner
- Bevorzugter Name
- 5-Bromouridine
- IUPAC
- 5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- Lokaler Name
- 5-Bromuridin
- Englischer Name
- 5-Bromouridine
- Summenformel
- C9H11BrN2O6
- Molmasse
- 323.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
957-75-5- PubChem CID
- 91494
- DTXSID
DTXSID401317210- ChEMBL
CHEMBL2206658- ChEBI
CHEBI:20553- UNII
- KEY8PG1BRC
- EC Number
- 213-486-6
- Nikkaji
- J93.350C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 119 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 414
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 · 180-182 °C (dec.) (lit.)
- Dichte
- 1.9322 · 1.9322 (rough estimate)
- Brechungsindex
- 1.652 · 1.6520 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Water (Sonicated)
- Aggregatzustand
- Solid
- pka
- 7.73 · 7.73±0.10(Predicted)
- Farbe
- Off-White
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 33664 · 33664
- InChI
- 1S/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
- InChIKey
- AGFIRQJZCNVMCW-UAKXSSHOSA-N
- SMILES
- OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(Br)C(=O)NC2=O
- CAS Datenbank
- 957 · 957-75-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- F
- 10
- wgk
- 3
- hs_code
- 29349990
- RTECS-Nr.
- YU7300000
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Anwendungen
Verwenden5-Bromouridine is a uridine (U829910) derivative and is often incorporated into RNA in order to detect immunocytochemically and analyzed by cytometry.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: A uridine having a bromo substituent at the 5-position.
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