Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

N-acyl amines

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty amides

Calculated Property

kind Value Source
logP 0.31 ALOGPS
logS -1.6 ALOGPS
Water Solubility 9.98e+00 g/l ALOGPS
logP -1.1 ChemAxon
IUPAC Name N-(2-hydroxyethyl)-N-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide ChemAxon
Traditional IUPAC Name N-(2-hydroxyethyl)-N-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide ChemAxon
Molecular Weight 365.4623 ChemAxon
Monoisotopic Weight 365.241352479 ChemAxon
SMILES CCCCCCCCC(=O)N(CCO)C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO ChemAxon
Molecular Formula C17H35NO7 ChemAxon
InChI InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14-,16+,17+/m1/s1 ChemAxon
InChIKey InChIKey=REPLXGVUTGZQCG-JHNDHUHGSA-N ChemAxon
Polar Surface Area (PSA) 141.69 ChemAxon
Refractivity 92.93 ChemAxon
Polarizability 40.77 ChemAxon
Rotatable Bond Count 15 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 12.65 ChemAxon
pKa (strongest basic) 0.22 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • cGMP-inhibited 3′,5′-cyclic phosphodiesterase B : in Human