(2S,3R,4S,5S,6R)-2-(4-Aminophenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
PubChem CID
88702
Structure
Chemical Safety
Molecular Formula
Synonyms
- 20818-25-1
- 4-Aminophenyl beta-D-glucopyranoside
- 4-Aminophenyl |A-D-glucopyranoside
- (2S,3R,4S,5S,6R)-2-(4-Aminophenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
- 4-Aminophenyl-beta-D-glucopyranoside
Molecular Weight
271.27 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-08-01
- Modify:2025-01-25
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Glc(b)-O-Ph(4-NH2)
IUPAC
(4-aminophenyl) beta-D-gluco-hexopyranoside
(2S,3R,4S,5S,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11-,12-/m1/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
MIAKOEWBCMPCQR-RMPHRYRLSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=CC(=CC=C1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H17NO6
Computed by PubChem 2.1 (PubChem release 2019.06.18)
20818-25-1
- 4-aminophenyl glucoside
- 4-aminophenyl glucoside, (alpha-D)-isomer
- 4-aminophenyl-beta-D-glucopyranoside
- p-aminophenyl-beta-D-glucoside
- PAPB-DG
- 20818-25-1
- 4-Aminophenyl beta-D-glucopyranoside
- 4-Aminophenyl |A-D-glucopyranoside
- (2S,3R,4S,5S,6R)-2-(4-Aminophenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
- 4-Aminophenyl-beta-D-glucopyranoside
- P-AMINOPHENYL BETA-D-GLUCOPYRANOSIDE
- p-Aminophenyl-beta-D-glucoside
- (2S,3R,4S,5S,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
- MFCD00067365
- 6R09NV3HOW
- .beta.-D-glucopyranoside, 4-aminophenyl
- 4-Aminophenyl b-D-glucopyranoside
- Papb-DG
- 4-Aminophenyl glucoside
- UNII-6R09NV3HOW
- 4-aminophenyl hexopyranoside
- SCHEMBL162315
- 4-aminophenyl-beta-D-glucoside
- DTXSID60943065
- b-D-Glucopyranoside,4-aminophenyl
- MIAKOEWBCMPCQR-RMPHRYRLSA-N
- p-aminophenol-beta-d-glucopyranoside
- 4-Aminophenyl beta -D-glucopyranoside
- 4-Aminophenyl-I(2)-D-glucopyranoside
- AKOS022186387
- beta-D-Glucopyranoside, 4-aminophenyl
- HY-W145490
- CS-0214424
- S12117
- Q27094170
- (2S,3R,4S,5S,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
271.27 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
-1
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
271.10558726 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
271.10558726 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
125 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
283
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
5
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Not Classified
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=MIAKOEWBCMPCQR-RMPHRYRLSA-N
- ChemIDplus4-Aminophenyl glucosidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0020818251ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox4-Aminophenyl hexopyranosidehttps://comptox.epa.gov/dashboard/DTXSID60943065CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice4-Aminophenyl beta-D-glucopyranosidehttps://echa.europa.eu/substance-information/-/substanceinfo/100.283.3714-Aminophenyl beta-D-glucopyranoside (EC: 846-348-4)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/292087
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingP-AMINOPHENYL BETA-D-GLUCOPYRANOSIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/6R09NV3HOW
- Japan Chemical Substance Dictionary (Nikkaji)
- Nature Chemistry
- Springer Nature
- Wikidata
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html4-aminophenyl glucosidehttps://www.ncbi.nlm.nih.gov/mesh/67055234
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403608140https://pubchem.ncbi.nlm.nih.gov/substance/403608140
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