8-Hydroxymethylriboflavin
Grundinformationen
- CAS
52134-62-0- Standard-SMILES
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1CO- InChIKey
GZKQMBNNNFCACH-MBNYWOFBSA-N- Summenformel
- C17H20N4O7
- Durchschnittliche Molmasse
- 392,4 g/mol
- Monoisotopische Masse
- 392,13319898
Überblick
urinary metabolite of riboflavin; structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- 8-Hydroxymethylriboflavin
- IUPAC
- 8-(hydroxymethyl)-7-methyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
- Englischer Name
- 8-hydroxymethylriboflavin
- Summenformel
- C17H20N4O7
- Molmasse
- 392.36
Namen und Synonyme
8-Hydroxymethylriboflavin8 alpha-hydroxyriboflavinRefChem:91458852134-62-08alpha-HydroxyriboflavinMB1HLU5HZF8-(hydroxymethyl)-7-methyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneUNII-MB1HLU5HZFRiboflavin, alpha8-hydroxy-ALPHA8-HYDROXYRIBOFLAVINSCHEMBL7127935DTXSID20966492
Weitere Namen anzeigen
Vitamin B2 Impurity DRiboflavin, α8-hydroxy-Riboflavin, a8-hydroxy- (9CI)Riboflavin, α8-hydroxy- (9CI)Riboflavin(VB2) EP Impurity D8α-Hydroxyriboflavin/8-Hydroxymethyl RiboflavinRiboflavin Impurity 4 (Riboflavin EP Impurity D)Riboflavin Impurity DQ: What is Riboflavin Impurity D Q: What is the CAS Number of Riboflavin Impurity D8-(Hydroxymethyl)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione (Riboflavin Impurity)
GZKQMBNNNFCACH-MBNYWOFBSA-N8.ALPHA.-HYDROXYRIBOFLAVINC17H20N4O78-(HYDROXYMETHYL)-7-METHYL-10-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)BENZO(G)PTERIDINE-2,4(3H,10H)-DIONERIBOFLAVIN, .ALPHA.8-HYDROXY-RIBOFLAVIN IMPURITY D [EP IMPURITY]1-Deoxy-1-[4-hydroxy-8-(hydroxymethyl)-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl]pentitol5-Deoxy-5-[4-hydroxy-8-(hydroxymethyl)-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl]-D-ribitol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,7
- Polarare Oberfläche (TPSA)
- 175 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 697
Physikochemische Eigenschaften
- Schmelzpunkt
- 240 °C · >240°C (dec.)
- Dichte
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- Löslichkeit
- Aqueous Base (Slightly, Sonicated), DMSO (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 9.76 · 9.76±0.70(Predicted)
- Farbe
- Orange to Very Dark Orange
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C17H20N4O7/c1-7-2-9-10(3-8(7)5-22)21(4-11(24)14(26)12(25)6-23)15-13(18-9)16(27)20-17(28)19-15/h2-3,11-12,14,22-26H,4-6H2,1H3,(H,20,27,28)
- InChIKey
- GZKQMBNNNFCACH-UHFFFAOYSA-N
- SMILES
- C(N1C2=NC(NC(C2=NC2=CC(=C(C=C12)CO)C)=O)=O)C(O)C(O)C(O)CO
Chemie und Industrie
Anwendungen
Verwenden8-Hydroxymethyl Riboflavin is an impurity of Riboflavin (R414995), a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, leafy vegetables. Richest natural source is yeast. Minute amounts present in all plant and animal cells. Vitamin (enzyme cofactor).
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