5-Formyl-2'-deoxyuridine
Grundinformationen
- CAS
4494-26-2- Standard-SMILES
O=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
MVORBLZUGBSUNB-XLPZGREQSA-N- Summenformel
- C10H12N2O6
- Durchschnittliche Molmasse
- 256,21 g/mol
- Monoisotopische Masse
- 256,06953611
Namen und Bezeichner
- Bevorzugter Name
- 5-Formyl-2'-deoxyuridine
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde
- Englischer Name
- 5-formyl-2'-deoxyuridine
- Summenformel
- C10H12N2O6
- Molmasse
- 256.21
Namen und Synonyme
5-Formyl-2'-deoxyuridine4494-26-2RefChem:9133902'-deoxy-5-formyluridine1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehydeUridine, 2'-deoxy-5-formyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehydeMFCD016898201-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carbaldehydeCCRIS 6343NSC 1482971-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Weitere Namen anzeigen
5-Formyl-dU5-formyl-2'-dUα-OxothymidineThymidine, α-oxo-5-Formul-2’-deoxyuridine5-Formyl-2’-deoxyuridine, DNA adduct1-(2-Deoxy-β-D-ribofuranosyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde
alpha-Oxothymidine; 2'-Deoxy-5-formyluridine; 5-Formyl-2'-deoxyuridine; 5-Formyldeoxyuridine; NSC 1482975-formyldeoxyuridine5-formyl-deoxyuridine1,2,3,4-Tetrahydro-1-(2-deoxy-beta-D-ribofuranosyl)-2,4-dioxo-5-pyrimidinecarboxaldehydeSCHEMBL337091CHEMBL379296orb2564739MVORBLZUGBSUNB-XLPZGREQSA-N
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,9
- Polarare Oberfläche (TPSA)
- 116 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 421
Physikochemische Eigenschaften
- Schmelzpunkt
- 162 · 162 - 164°C
- Dichte
- 1.67 · 1.670±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly, Sonicated)
- pka
- 8.23 · 8.23±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
Chemie und Industrie
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