chempirical

Glucosamine

C6H13NO5CAS 3416-24-8179.17 g/mol

Open in Covalent MOL file
NH2OOHOHOHOH
AlcoholAldehydePrimary amine

Properties

Molecular formula
C6H13NO5
Molar mass
179.17 g/mol
Exact mass
179.0794 Da
Melting point
88 °C
logP
-3.41Crippen estimate
Polar surface area
124.0 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
3416-24-8
SMILES
N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
FZHXIRIBWMQPQF-SLPGGIOYSA-N
InChI
InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6+/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • D-Glucose, 2-amino-2-deoxy-
  • 2-Amino-2-deoxy-D-glucose
  • Chitosamine
  • D-Glucosamine
  • 2-Amino-2-deoxyglucose
  • 2-Amino-2-deoxy-D-glucopyranose
  • 2-Deoxy-2-aminoglucose
  • 2-Deoxy-2-amino-D-glucose
  • 2-Aminoglucose
  • Glucosamine, D-
  • Mediflex

Work with Glucosamine

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

Similar compounds

Galactosamine hydrochloride1772-03-890 % similar D-Mannosamine hydrochloride5505-63-590 % similar D-Glucosamine sulfate14999-43-079 % similar Glucosamine sulfate29031-19-479 % similar 2-Fluoro-2-deoxy-D-glucose29702-43-065 % similar L-Mannose10030-80-561 % similar L-Galactose15572-79-961 % similar Altrose1990-29-061 % similar

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

Same formula

Tricine5704-04-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia