chempirical

Demannose

C6H12O6CAS 3458-28-4180.16 g/mol

Open in Covalent MOL file
OOHOHOHOHOH
AlcoholAldehyde

Properties

Molecular formula
C6H12O6
Molar mass
180.16 g/mol
Exact mass
180.0634 Da
Density
1.554 g/mL (at −5 °C)
Melting point
132 °C (decomposes)
logP
-3.38Crippen estimate
Polar surface area
118.2 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5
Stereocentres
S, S, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 159 ECHA notifiers. Aggregated from 159 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3458-28-4
SMILES
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
GZCGUPFRVQAUEE-KVTDHHQDSA-N
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Mannose
  • D-Mannose
  • Mannose, D-
  • Carubinose
  • Seminose
  • D(+)-Mannose
  • (+)-Mannose
  • NSC 26247
  • Anhydro-mannose

Reactions

Work with Demannose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Mannose10030-80-5Enantiomer Glucose50-99-7Diastereomer Altrose1990-29-0Diastereomer Galactose59-23-4Diastereomer Talose2595-98-4Diastereomer Allose2595-97-3Diastereomer L-Glucose921-60-8Diastereomer L-Galactose15572-79-9Diastereomer L-Gulose6027-89-0Diastereomer L-Talose23567-25-1Diastereomer

Similar compounds

D-Arabinose10323-20-388 % similar D-Lyxose1114-34-788 % similar Arabinose147-81-988 % similar Lyxose1949-78-688 % similar Arabinose20235-19-288 % similar L-Ribose24259-59-488 % similar DL-Xylose25990-60-788 % similar DL-Xylose41247-05-688 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

D-Galactopyranose10257-28-0 Beta-D-fructose308066-66-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia