D-Mannosamine hydrochloride

C₆H₁₄ClNO₅CAS 5505-63-5215.63 g/mol

Open in Covalent MOL file

Alcohol Aldehyde Primary amine

Properties

Molecular formula: C₆H₁₄ClNO₅
Molar mass: 215.63 g/mol
Exact mass: 215.0561 Da
Melting point: 178–180 °C (decomposes)
logP: -2.99Crippen estimate
Polar surface area: 124.0 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 5
Stereocentres: S, R, S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation25% of notifiers
H317 May cause an allergic skin reaction12.5% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5505-63-5

SMILES

Cl.N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO

InChIKey

CBOJBBMQJBVCMW-MVNLRXSJSA-N

InChI

InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4-,5-,6-;/m1./s1

Weigh it out

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

Names and synonyms

5 names

D-Mannose, 2-amino-2-deoxy-, hydrochloride (1:1)
Mannose, 2-amino-2-deoxy-, hydrochloride, D-
D-Mannose, 2-amino-2-deoxy-, hydrochloride
2-Amino-2-deoxy-D-mannose hydrochloride
D-(+)-Mannosamine hydrochloride

Work with D-Mannosamine hydrochloride

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.

Glucosamine3416-24-8Free base, diastereomer Glucosamine hydrochloride66-84-2Diastereomer Galactosamine hydrochloride1772-03-8Diastereomer Glucosamine sulfate29031-19-4Salt, diastereomer Levomefolate glucosamine1181972-37-1Salt, diastereomer D-Glucosamine sulfate14999-43-0Salt, diastereomer

Similar compounds

2-Fluoro-2-deoxy-D-glucose29702-43-059 % similar L-Mannose10030-80-556 % similar L-Galactose15572-79-956 % similar Altrose1990-29-056 % similar L-Talose23567-25-156 % similar Allose2595-97-356 % similar Talose2595-98-456 % similar Demannose3458-28-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook