1-Deoxy-1-Methoxycarbamido-Beta-D-Gluco-2-Heptulopyranosonamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.

Amino sugars

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Aminosaccharides

Calculated Property

kind Value Source
logP -2.4 ALOGPS
logS -0.34 ALOGPS
Water Solubility 1.29e+02 g/l ALOGPS
logP -3.4 ChemAxon
IUPAC Name methyl N-[(2R,3S,4R,5R,6S)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate ChemAxon
Traditional IUPAC Name methyl N-[(2R,3S,4R,5R,6S)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate ChemAxon
Molecular Weight 280.2319 ChemAxon
Monoisotopic Weight 280.090665498 ChemAxon
SMILES COC(=O)N[C@]1(O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(N)=O ChemAxon
Molecular Formula C9H16N2O8 ChemAxon
InChI InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m0/s1 ChemAxon
InChIKey InChIKey=ZQTAMPRAONLFQI-HYMLEYLXSA-N ChemAxon
Polar Surface Area (PSA) 171.57 ChemAxon
Refractivity 56.81 ChemAxon
Polarizability 24.82 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 11.95 ChemAxon
pKa (strongest basic) -3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Glycogen phosphorylase, muscle form : in Human