Basic information
- CAS
25281-48-5- Standard SMILES
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
HOVAGTYPODGVJG-VEIUFWFVSA-N- Molecular formula
- C7H14O6
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.07903817
Overview
Methyl alpha-D-mannoside is a methyl mannoside having alpha-configuration at the anomeric centre. It is a methyl mannoside and an alpha-D-mannoside.
Names & identifiers
- Preferred name
- Methyl alpha-D-mannopyranoside
- IUPAC
- (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
- English name
- methyl mannoside
- Molecular formula
- CH3OC6H11O5
- Molecular weight
- 0
Names & synonyms
617-04-9Methyl alpha-D-mannopyranosideMethyl a-D-mannopyranosideMethyl alpha-D-mannosidealpha-Methyl-D-mannosideMethyl-alpha-D-mannopyranosidemethyl |A-d-mannopyranoside1-O-Methyl-alpha-D-mannopyranosidealpha-Methyl mannopyranosidealpha-D-Methyl mannosideMFCD00063262O1-Methyl-Mannose
Show more names
methyl mannosideMannoside, methyl
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triolMethyl-alpha-D-mannosideC7H14O62jdyNSC 1225alpha-Methyl-D-(-)-mannosidea-Methyl D-mannosidealpha-D-Mannopyranoside, methyl
Database identifiers
- CAS
25281-48-5、617-04-9- PubChem CID
- 101798
- DTXSID
DTXSID10897266- ChEMBL
CHEMBL195368- ChEBI
CHEBI:43943- EC Number
- 210-502-3
- Nikkaji
- J95.586H
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Monosaccharides and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionWhite to slightly gray odorless powder; [Acros Organics MSDS]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32019
.alpha.-D-Mannopyranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Additional notes
DefinitionChEBI: Methyl alpha-D-mannoside is a methyl mannoside having alpha-configuration at the anomeric centre. It is a methyl mannoside and an alpha-D-mannoside.
Related reactions
4 records
Compound notes
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