5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide
Grundinformationen
- CAS
18656-89-8- Standard-SMILES
O=C(O)[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
DHJFFLKPAYHPHU-BYNIDDHOSA-N- Summenformel
- C14H13BrClNO7
- Durchschnittliche Molmasse
- 422,61 g/mol
- Monoisotopische Masse
- 420,95639
Überblick
5-bromo-4-chloro-3-indolyl beta-D-glucuronide is an indolyl carbohydrate that is the beta-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It has a role as a chromogenic compound. It is a beta-D-glucosiduronic acid, an indolyl carbohydrate, an organochlorine compound, an organobromine compound and a monosaccharide derivative. It is functionally related to an indoxyl.
Namen und Bezeichner
- Bevorzugter Name
- 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Englischer Name
- 5-bromo-4-chloro-3-indolylglucuronide
- Summenformel
- C14H13BrClNO7
- Molmasse
- 422.61
Namen und Synonyme
18656-89-85-BROMO-4-CHLORO-3-INDOLYL-beta-D-GLUCURONIDEDTXSID10940105RefChem:1072731DTXCID0017663785-bromo-4-chloro-3-indolyl beta-d-glucuronideX-Gluc5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acidX-Gluc (free base)5-Bromo-4-chloro-1H-indol-3-yl-b-D-glucuronideSCHEMBL55698(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Weitere Namen anzeigen
Bci-3 glud5-bromo-4-chloro-3-indolylglucuronide5-Bromo-4-chloro-3-indoxyl-glucuronide4-Chloro-5-bromo-1H-indole-3-yl β-D-glucuronide5-Bromo-4-chloro-1H-indole-3-yl β-D-glucuronopyranoside5-Bromo-4-chloro-1H-indol-3-yl-b-D-glucuronide (X-Gluc)5-Bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronic acidβ-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl
CHEBI:75510DHJFFLKPAYHPHU-BYNIDDHOSA-NEB03256PD1559905-bromo-4-chloroindoxyl beta-D-glucuronideQ271453625-bromo-4-chloro-3-indolyl beta-d-glucopyranosiduronic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 132 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 486
Physikochemische Eigenschaften
- Siedepunkt
- 732.2 · 732.2±60.0 °C(Predicted)
- Dichte
- 2.005 · 2.005±0.06 g/cm3(Predicted)
- pka
- 2.76 · 2.76±0.70(Predicted)
Chemie und Industrie
Anbieter6 Anbieter
广州市尧光科技有限公司13020159086 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
深圳市金赛途生物科技有限公司0755-23251735 13302967066 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
西安科展生物科技有限公司18729005399 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: An indolyl carbohydrate that is the beta-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively
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