D-Mannose

HCID 18950

Substructure search Find similar structures

Basic information

CAS: 31103-86-3
Standard SMILES: OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIKey: WQZGKKKJIJFFOK-QTVWNMPRSA-N
Molecular formula: C6H12O6
Average molar mass: 180.16 g/mol
Monoisotopic mass: 180.0633881

Overview

D-mannopyranose is D-Mannose in its six-membered ring form. It has a role as a metabolite. It is a D-mannose, a D-aldohexose and a mannopyranose.

Names & identifiers

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

Names & synonyms

D-MannopyranosemannopyranosemannopyranosideMANd-mannopyranosideD-ManD-MannoseMan (SNFG)MannoseSNFG:Man530-26-7D(+)-Mannose

Show more names

D-Mannopyranose, 10 mM in DMSOD Mannopyranose,DMannopyranose

(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrolCHEBI:4208MFCD00064122(+)-Mannose(3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol(+-)-MannoseSMR000857125D-Mannose Tablets

Database identifiers

CAS: 31103-86-3、3458-28-4、530-26-7
PubChem CID: 18950
DTXSID: DTXSID501337491
ChEMBL: CHEMBL469448
ChEBI: CHEBI:4208
EC Number: 208-474-2
Nikkaji: J182.296I

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

CosmeticsCosmetic ingredients (Mannose) -> CIR (Cosmetic Ingredient Review)

SpringerMaterials PropertiesChemical shift

Collision Cross Section · 5 items

140.8 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

141.82 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

141.5 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

138 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]

141.6 Å² [M+Na]+

Physicochemical properties

Boiling point: 410.8 · 410.8±45.0 °C(Predicted)
Density: 1.732 · 1.732±0.06 g/cm3(Predicted)
pka: 12.08 · pKa: 12.08(25°C)
Cosmetic Ingredient Review (CIR): MANNOSE (530-26-7)
EWG's Food Scores: 1 · 1
FDA UNII: 4727 WTP · PHA4727WTP

Safety & regulation

Toxicology

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Mannose

Applications

UsesD-Mannopyranose (compound 19) is a biochemical reagent that can be used as a biomaterial or organic compound related to life science research[1].