alpha-D-Mannopyranose

HCID 185698CAS 101357-07-7

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Basic information

Standard SMILES: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
Molecular formula: C6H12O6
Average molar mass: 180.16 g/mol
Monoisotopic mass: 180.0633881

Overview

Alpha-D-mannose is D-Mannopyranose having alpha-configuration at the anomeric centre. It has a role as an epitope. It is an enantiomer of an alpha-L-mannose.

Names & identifiers

Preferred name: alpha-D-Mannopyranose
IUPAC: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
English name: α-D-Mannopyranose
Molecular formula: C6H12O6
Molecular weight: 180.16

Names & synonyms

alpha-D-Mannosealpha-D-Mannopyranose7296-15-3alpha-MannoseCHEBI:28729(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrolW3F28J9G0WDTXSID001015858RefChem:555638GlyTouCan:G61491DKDTXCID201474010G61491DK

Show more names

α-D-Mannopyranosealpha-D-Mannose-7296-15-3

alpha-D-Man101357-35-1CHEMBL365590135317-04-3(2S,3S,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraolSeminoseMuscarinic toxin 2(+)-Mannose

Database identifiers

CAS: 101357-07-7、101357-35-1、3458-28-4、7296-15-3
PubChem CID: 185698
DTXSID: DTXSID001015858
ChEMBL: CHEMBL365590
ChEBI: CHEBI:28729
UNII: W3F28J9G0W
EC Number: 309-904-2、309-933-0
Nikkaji: J15.393A

Properties

Computed structural properties

XLogP: -2.6
Topological polar surface area: 110 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

Solubility713.0 mg/mL at 17 °C

Melting Point132 °C

Physical Description · 2 items

Information not available.

Solid

Physicochemical properties

Melting point: 133 °C · 133 °C
Boiling point: 410.8 · 410.8±45.0 °C(Predicted)
Density: 1.732 · 1.732±0.06 g/cm3(Predicted)
pka: 12.12 · 12.12±0.70(Predicted)
FDA UNII: 3 F28J9G0W · W3F28J9G0W
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Pharmacology

Tissue LocationsAdrenal Medulla

Cellular LocationsCytoplasm

Metabolite PathwaysFructose and mannose metabolism

Upstream & downstream products

Downstream products

BENZYL ALPHA-D-MANNOPYRANOSIDE .alpha.-D-Mannopyranose, 2,3,4,6-tetrabenzoate 1-(2,2,2-trichloroethanimidate)4-METHOXYPHENYL ALPHA-D-MANNOPYRANOSIDE

Suppliers1 total

CHEMICAL LAND21[email protected]

Additional notes

DefinitionChEBI: Alpha-D-mannose is d-Mannopyranose having alpha-configuration at the anomeric centre. It has a role as an epitope. It is an enantiomer of an alpha-L-mannose.