chempirical

Glucamine

C6H15NO5CAS 488-43-7181.19 g/mol

Open in Covalent MOL file
H2NOHOHOHOHOH
AlcoholPrimary amine

Properties

Molecular formula
C6H15NO5
Molar mass
181.19 g/mol
Exact mass
181.0950 Da
Melting point
127 °C
logP
-3.62Crippen estimate
Polar surface area
127.2 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
5
Stereocentres
S, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
488-43-7
SMILES
NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
SDOFMBGMRVAJNF-SLPGGIOYSA-N
InChI
InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6+/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • D-Glucitol, 1-amino-1-deoxy-
  • Glucitol, 1-amino-1-deoxy-, D-
  • Glucitol, 1-amino-1-deoxy-
  • Sorbitol, 1-amino-1-deoxy-
  • 1-Amino-1-deoxy-D-glucitol
  • D-Glucamine
  • 1-Amino-1-deoxysorbitol
  • 1-Amino-1-deoxyglucitol
  • 1-Deoxy-1-amino-D-sorbitol
  • 1-Amino-1-deoxy-D-sorbitol
  • (2R,3R,4R,5S)-6-Aminohexane-1,2,3,4,5-pentol
  • 1-Deoxy-1-amino-D-glucitol

Work with Glucamine

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

Sorbitol50-70-470 % similar Galactitol608-66-270 % similar Mannitol69-65-870 % similar DL-Mannitol87-78-570 % similar Ribitol488-81-362 % similar D-Arabitol488-82-462 % similar Arabitol7643-75-662 % similar Xylitol87-99-062 % similar

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

Same formula

Tris-acetate6850-28-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook