5-Ioduridin

5-Iodouridine

HCID 1268108

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Grundinformationen

CAS: 1024-99-3
Standard-SMILES: O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
InChIKey: RKSLVDIXBGWPIS-UAKXSSHOSA-N
Summenformel: C9H11IN2O6
Durchschnittliche Molmasse: 370,1 g/mol
Monoisotopische Masse: 369,96618

Namen und Bezeichner

Bevorzugter Name: 5-Iodouridine
IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Lokaler Name: 5-Ioduridin
Englischer Name: 5-Iodouridine
Summenformel: C9H11IN2O6
Molmasse: 370.1

Namen und Synonyme

5-Iodouridine1024-99-3YZK4KVC76PNSC-523375RefChem:102974213-833-1Uridine, 5-iodo-MFCD00006532C9H11IN2O6UNII-YZK4KVC76P1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione

Weitere Namen anzeigen

85255-I-rU5-I-Ur5-Iodoruidine5-lodouridine5-Iodouridine 95%5-Iodouridine, >=99%

1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodopyrimidine-2,4(1H,3H)-dione1-((2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL)-5-IODO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE1-(3,4-DIHYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-5-IODOPYRIMIDINE-2,4(1H,3H)-DIONE1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC 5233755-iodo-d-uridineEINECS 213-833-15-Iodouridine, 95%

Datenbank-Bezeichner

CAS: 1024-99-3
PubChem CID: 1268108
ChEMBL: CHEMBL3249838
UNII: YZK4KVC76P
EC Number: 213-833-1
Nikkaji: J93.353H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,3
Polarare Oberfläche (TPSA): 119 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 414

Physikochemische Eigenschaften

Schmelzpunkt: 205 · 205-207 °C (dec.) (lit.)
Dichte: 2.27 · 2.27±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Acetonitrile: Slightly solubleMethanol: SolubleWater: Slightly soluble
pka: 7.94 · 7.94±0.10(Predicted)
Aggregatzustand: Powder
Farbe: White
Wasserlöslichkeit: Soluble in water.
BRN: 33665 · 33665
InChI: InChI=1S/C9H11IN2O6/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: RKSLVDIXBGWPIS-UAKXSSHOSA-N
SMILES: OC[C@H]1O[C@@H](N2C=C(I)C(=O)NC2=O)[C@H](O)[C@@H]1O
CAS Datenbank: 1024 · 1024-99-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

F: 8-10
wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37/39-27-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden5-Iodouridine has shown to enhance the effect of gamma irradiation in hamster cells. It is used as catalytic agent, petrochemical additive, used in organic synthesis.