Basic information
- CAS
15959-03-2- Standard SMILES
Nc1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
ZVFVTBSWJWONEI-GOVZDWNOSA-N- Molecular formula
- C12H15NO7
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.08485182
Overview
RN given refers to (beta-D)-isomer
Names & identifiers
- Preferred name
- 2-Aminophenol glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- 2-Aminophenyl-beta-D-glucuronic acid
- Molecular formula
- C12H15NO7
- Molecular weight
- 285.25
Names & synonyms
15959-03-22-Aminophenylglucuronide2-Aminophenol GlucuronideRefChem:909627ortho-aminophenol beta-glucuronide240-094-2o-Aminophenyl beta-D-glucopyranosiduronic acid(2S,3S,4S,5R,6S)-6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid2-Aminophenyl ?-D-Glucuronide2-Aminophenyl-beta-D-glucuronic acid(2S,3S,4S,5R,6S)-6-(2-Aminophenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid(2S,3S,4S,5R,6S)-6-(2-aminophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Show more names
NSC 89270PAC 1-βBenzyl βEinecs 240-094-2OAPH-BETA-D-GLCARetin-15-yl β2-Aminophenyl-§4-Hydroxy-PAC 1-βRaloxifene-d4 4&rsquo
(2S,3S,4S,5R,6S)-6-(2-Aminophenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylicacid2-Aminophenyl |A-D-Glucuronide2-Aminophenyl b-D-glucuronideEINECS 240-094-22-AMINOPHENYL BETA-D-GLUCURONIDE2-aminophenyl beta-D-glucopyranosiduronic acidorb2941587SCHEMBL1159926
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 227 · 227-230°C (dec.)
- Boiling point
- 603.3 · 603.3±55.0 °C(Predicted)
- Density
- 1.653 · 1.653±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Aqueous Acid (Slightly), Water (Sparingly, Heated, Sonicated)
- pka
- 2.75 · 2.75±0.70(Predicted)
- form
- Solid
- color
- Light Beige to Light Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesA compound synthesized by the liver of mammalian and avian species.
Suppliers15 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [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]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
凯试（上海）科技有限公司021-50135380 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…