| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 15 | Yes |
Popular Name: N-((3R,4R,5R,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide N-((3R,4R,5R,6R)-2,4,5-Trihydrox…
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CAS Numbers: 14215-68-0 , 1811-31-0 , 6082-29-7
2-(Acetylamino)-2-Deoxy-a-D-Glucopyranose
2-Acetamido-2-Deoxy-a-D-Galactose
2-acetamido-2-deoxy-beta-D-galactopyranoside; N-acetyl-beta-D-galactosamine; bGalNAc; beta-GalNAc
2-ACETAMIDO-2-DEOXY-D-GALACTOPYRANOSE; [14215-68-0]
2-Acetamido-2-deoxy-D-galactose; C01132; N-Acetyl-D-chondrosamine; N-Acetyl-D-galactosamine
C05021; N-Acetyl-beta-D-galactosamine
CHEBI:546804; CHEBI:7110; CHEBI:21502
CHEBI:7166; CHEBI:44496; CHEBI:21576
CPD-12557; N-acetyl-beta-D-galactosamine; beta-GalNAc
D-GalNAc; GalNAc; N-acetyl-D-galactosamine
N-Acetyl-2-Deoxy-2-Amino-Galactose
N-Acetyl-D-galactosamine Hydrate
N1-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -3.08 | -8.5 | -21.15 | 5 | 7 | 0 | 119 | 221.209 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 158 - 162 | Acros Organics |
| Mp [°C] | 158 - 166 | Acros Organics |
| MP | 158-162 °C | Indofine |
| ALOGPS_SOLUBILITY | 2.54e+02 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ABL_AGABI; AGAA_ECOLI; AGGL_SCLS1; AGGL_SCLSC; ALL1_HORSE; ANP3_PAGBO; CCL11_HUMAN; CCL14_HUMAN; CD24_MOUSE; CGAT1_HUMAN; CGAT1_MOUSE; CGAT2_HUMAN; CGAT2_MOUSE; CHSS1_HUMAN; CHSS1_MOUSE; CHSS2_CAEEL; CHSS2_HUMAN; CHSS2_MOUSE; CHSS3_HUMAN; CHSS3_MOUSE; CHS | ChEBI |
| UniProt Database Links | AGAA_ECOLI; GAHP1_CLOPH; GAHP2_CLOPH; GALNS_CANFA; GALNS_HUMAN; GALNS_MOUSE; GALNS_PIG; GALNS_RAT; GALT1_BOVIN; GALT1_DROME; GALT1_HUMAN; GALT1_MOUSE; GALT1_PIG; GALT1_RAT; GALT2_DROME; GALT2_HUMAN; GALT2_MOUSE; GALT3_CAEEL; GALT3_DROME; GALT3_HUMAN; GALT | ChEBI |
| Patent Database Links | EP1731132; EP1844784; US2007248556; US2007265210; US2007270496 | ChEBI |
| Reactome Database Links | REACT_115753; REACT_115984; REACT_120972; REACT_121316; REACT_163907 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Description | Species |
|---|---|
| CS/DS degradation | |
| Glycosphingolipid metabolism | |
| Keratan sulfate degradation | |
| Scavenging by Class A Receptors |
No pre-computed analogs available. Try a structural similarity search.