5-amino-6-(D-ribitylamino)uracil
Grundinformationen
- CAS
17014-74-3- Standard-SMILES
Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O- InChIKey
XKQZIXVJVUPORE-RPDRRWSUSA-N- Summenformel
- C9H16N4O6
- Durchschnittliche Molmasse
- 276,25 g/mol
- Monoisotopische Masse
- 276,10698424
Überblick
5-amino-6-(D-ribitylamino)uracil is an aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminouracil. Early intermediate in bacterial riboflavin synthesis. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite. It is an aminouracil and a hydroxypyrimidine. It is functionally related to a ribitol.
Namen und Bezeichner
- Bevorzugter Name
- 5-amino-6-(D-ribitylamino)uracil
- IUPAC
- 5-amino-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione
- Englischer Name
- 5-amino-6-ribitylamino-2,4-(1H,3H)pyrimidinedione
- Summenformel
- C9H16N4O6
- Molmasse
- 276.25
Namen und Synonyme
5-amino-6-(D-ribitylamino)uracil6-(1-D-ribitylamino)-5-aminouracil5-Amino-6-(1-D-ribitylamino)uracil6-(1-D-ribitylamino)-5-amino-2,4-dihydroxypyrimidine1-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-1-deoxy-D-ribitolCHEBI:159345-amino-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine1-((5-Amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)-1-deoxy-D-ribitol5-amino-6-(((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)amino)-1H-pyrimidine-2,4-dioneRefChem:1019715-amino-6-(((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)amino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Weitere Namen anzeigen
5 A RU,5ARU5-Amino-4-D-ribitylaminouracil5-Amino-6-(D-ribitylamino)uracil DISCONTINUED. Please see A629245.D-Ribitol, 1-[(5-amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)amino]-1-deoxy-
17014-74-35-A-RU5-Arpd5-Amino-6-ribitylaminouracil5-Amino-6-ribitylamino-2,4-(1H,3H)pyrimidinedione5-Amino-2,6-dioxo-4-ribitylaminopyrimidine5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione5-Amino-4-D-ribitylaminouracil Dihydrochloride (>85%)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,2
- Polarare Oberfläche (TPSA)
- 177 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 398
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Physikochemische Eigenschaften
- Dichte
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 11.6 · 11.60±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Dark Red to Very Dark Red
- Stabilität
- Hygroscopic, Temperature Sensitive
Chemie und Industrie
Ergänzende Hinweise
DefinitionChEBI: An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminouracil. Early intermediate in bacterial riboflavin synthesis.
Zugehörige Reaktionen
1
Notizen zur Verbindung
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