Basic information
- CAS
22720-35-0- Standard SMILES
O=C(O)[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
TYDGGWYIJKMLEO-JHZZJYKESA-N- Molecular formula
- C16H15BrO7
- Average molar mass
- 399.19 g/mol
- Monoisotopic mass
- 398.00012
Names & identifiers
- Preferred name
- 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid
- IUPAC
- (2S,3S,4S,5R,6S)-6-(6-bromonaphthalen-2-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- 6-Bromo-2-naphthyl-beta-D-glucuronide
- Molecular formula
- C16H15BrO7
- Molecular weight
- 399.19
Names & synonyms
6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acidRefChem:54078922720-35-06-Bromo-2-naphthyl beta-D-glucopyranosiduronic acid6-Bromo-2-naphthyl beta-D-glucuronide6-BROMO-2-NAPHTHYL-BETA-D-GLUCURONIDEMFCD00046453(2S,3S,4S,5R,6S)-6-(6-bromonaphthalen-2-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6S)-6-((6-Bromonaphthalen-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acidC16H15BrO76-Bromo-2-naphthyl b-D-glucuronideEINECS 245-176-1
Show more names
6-Bromo-2-naphthyl β-D-glucuronide6-Bromo-2-naphthyl β-D-glucuronide6-BROMO-2-NAPHTHYL-BETA-D-GLUCURONIC ACIDGlucopyranosiduronic acid 6-bromo-2-naphthyl6-Bromo-2-naphtyl β-D-glucopyranosiduronic acid6-Bromo-2-naphthyl beta-D-glucopyranosiduronide6-BROMO-2-NAPHTHYL-BETA-D-GLUCURONIDE USP/EP/BP
(2S,3S,4S,5R,6S)-6-[(6-bromonaphthalen-2-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid6-Bromo-2-naphthyl |A-D-glucuronideSCHEMBL963208orb2940922DTXSID70945398TXB-00196AKOS027381737EB03245
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 662 ℃ · 662℃
- Density
- 1.81 · 1.810
- Flash point
- 354 ℃ · 354℃
- storage temp.
- 20 °C · −20°C
- pka
- 2.77 · 2.77±0.70(Predicted)
- WGK Germany
- 3 · 3
- HS Code
- 29389090 · 29389090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- hs_code
- 29389090
Chemistry & industry
Applications
Uses6-Bromo-2-naphthalenyl β-D-glucopyranosiduronic acid is a biochemical assay reagent.
Suppliers29 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
杭州东帆化学有限公司86-0571-85151182
武汉开诺医药科技有限公司18040571231/1402788087
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
南京优纯生物科技有限公司025-82263158 13851993283 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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