Convicine
Grundinformationen
- CAS
19286-37-4- Standard-SMILES
Nc1[nH]c(=O)[nH]c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
JJWYIMQKLTVAGZ-SYCVNHKBSA-N- Summenformel
- C10H15N3O8
- Durchschnittliche Molmasse
- 305,24 g/mol
- Monoisotopische Masse
- 305,08591445
Überblick
Convicine is a glycoside.
Namen und Bezeichner
- Bevorzugter Name
- Convicine
- IUPAC
- 6-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidine-2,4-dione
- Englischer Name
- 6-Amino-5-beta-D-glucopyranosyloxyuracil
- Summenformel
- C10H15N3O8
- Molmasse
- 305.24
Namen und Synonyme
Convicine19286-37-46O6R2591X56-Amino-5-beta-D-glucopyranosyloxyuracil6-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidine-2,4-dione6-amino-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1H-pyrimidine-2,4-dione6-amino-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-1H-pyrimidine-2,4-dione6-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1H-pyrimidine-2,4-dioneRefChem:127824UNII-6O6R2591X5AC1L3ETZAC1Q6LTN
Weitere Namen anzeigen
6-Amino-5-(β-D-glucopyranosyloxy)-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 6-amino-5-(β-D-glucopyranosyloxy)-
2,4(1H,3H)-Pyrimidinedione, 6-amino-5-(ss-D-glucopyranosyloxy)-; Convicine (7CI,8CI); 6-Amino-5-(ss-D-glucopyranosyloxy)-2,4(1H,3H)-pyrimidinedione; 6-Amino-5-(ss-D-glucopyranosyloxy)-2,4-1H,3H-pyrimidinedione6-amino-5-(b-d-glucopyranosyloxy)-2,4(1h,3h)-pyrimidinedioneCONVICINE [MI]SureCN4630048CHEBI:3867orb1942088SCHEMBL4630048SCHEMBL27219509
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,4
- Polarare Oberfläche (TPSA)
- 184 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 481
Physikochemische Eigenschaften
- Löslichkeit
- Aqueous Base (Slightly), DMSO (Slightly)
- Dichte
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- pka
- 11.11 · 11.11±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Light Brown
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
VerwendenConvicine, is a derivative of Vicine (V250005), a pyrimidine glycosides, a precursor of the aglycons divicine and isouramil which is main factors of favism. It is found in faba/fava bean. Also, it is derived from Ethyl Glyoxylate (E918550), which is used as a reagent in the synthesis of a new class of cinnamyl-triazole compounds which can be used as selective inhibitors of human aromatase (cytochrome P 450 19A1)
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TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
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