D-Glucosaminic acid

C₆H₁₃NO₆CAS 3646-68-2195.17 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₃NO₆
Molar mass: 195.17 g/mol
Exact mass: 195.0743 Da
Density: 1.618 g/mL (at −5 °C)
Melting point: 210–240 °C (decomposes)
logP: -3.53Crippen estimate
Polar surface area: 144.2 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 5
Stereocentres: R, R, S, Rin SMILES atom order

Identifiers

CAS number

3646-68-2

SMILES

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

InChIKey

UFYKDFXCZBTLOO-TXICZTDVSA-N

InChI

InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1

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

Names and synonyms

7 names

D-Gluconic acid, 2-amino-2-deoxy-
Gluconic acid, 2-amino-2-deoxy-, D-
2-Amino-2-deoxy-D-gluconic acid
Glucosaminic acid
D-Glucosamic acid
NSC 37779
NSC 404265

Work with D-Glucosaminic acid

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

Gluconic acid526-95-465 % similar Sorbitol50-70-452 % similar Galactitol608-66-252 % similar Mannitol69-65-852 % similar Dl-mannitol87-78-552 % similar (2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid10148-71-752 % similar Glucosamine3416-24-847 % similar D-Serine312-84-547 % similar

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

Elsewhere

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