lacto-N-biose I
N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Also Known As: Lacto-N-biose I|Lacto-N-biose|Gal(beta1-3)GlcNAc|Gal(b1-3)a-GlcNAc|GlyTouCan:G21469TE|NAG-(3-1)GAL|beta-D-Gal-(1->3)-D-GlcNAc|G21469TE|beta-delta-Gal-(1->3)-delta-GlcNAc|beta-D-Galp-(1->3)-alpha-D-GlcpNAc|2-Acetamido-2-deoxy-3-O-(beta-D-galactopyranosyl)-D-glucopyranose|O-beta-D-Galactopyranosyl-(1->3)-N-acetylglucosamine|2-acetamido-2-deoxy-3-O-b-D-galactopyranosyl-D-glucose|beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-glucosamine|2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-glucose|O-beta-delta-Galactopyranosyl-(1->3)-N-acetylglucosamine|beta-delta-Galactopyranosyl-(1->3)-N-acetyl-delta-glucosamine|2-Acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-D-glucopyranose|2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-glucopyranose|2-acetamido-2-deoxy-3-O-beta-delta-galactopyranosyl-delta-glucose|2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-glucopyranose|2-acetamido-2-deoxy-3-O-beta-delta-galactopyranosyl-delta-glucopyranose|3-O-beta-D-Galactopyranosyl-2-acetylamino-2-deoxy-alpha-D-glucopyranose|N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide|N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide|WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2/a3-b1|N-((2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-3-yl)acetamide
| Molecular Formula | C14H25NO11 |
|---|---|
| Molecular Weight | 383.14276 g/mol |
| LogP | -5.2534 |
| Topological Polar Surface Area | 198.4 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.14276 |
| Monoisotopic Mass | 383.14276 |
| Heavy Atoms | 26 |
| Complexity | 477.8094 |
Chemical Identifiers
| CAS Number | 489-52-1 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O |
Product Overview
lacto-N-biose I (CAS 489-52-1), with molecular formula C14H25NO11 and molecular weight 383.14276 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.