lacto-N-biose II
Basic information
- CAS
63121-25-5- Standard SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
IXWNIYCPCRHGAE-ZGJPTGLRSA-N- Molecular formula
- C14H25NO11
- Average molar mass
- 383.35 g/mol
- Monoisotopic mass
- 383.14276061
Overview
Lacto-N-biose II is a N-acyl-hexosamine.
Names & identifiers
- Preferred name
- lacto-N-biose II
- IUPAC
- N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide
- English name
- lacto-N-biose II
- Molecular formula
- C14H25NO11
- Molecular weight
- 383.35
Names & synonyms
Lacto-N-biose II63121-25-5alpha-D-Galactopyranose, 3-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-RefChem:152059GlyTouCan:G69538FBG69538FBGlcNAc(b1-3)a-GalDTXSID40979089CHEBI:153306Methyl-3-O-(2-acetamido-2-deoxyglucopyranosyl)galactopyranosideMethyl-3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)alpha-D-galactopyranoside3-O-{2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}hexopyranose
Show more names
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranose3-O-{2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}-alpha-D-galactopyranoseWURCS=2.0/2,2,1/[a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2/a3-b1
Database identifiers
- CAS
63121-25-5- PubChem CID
- 196407
- DTXSID
DTXSID40979089- ChEBI
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 480
Chemistry & industry
Additional notes
DefinitionChEBI: Lacto-N-biose II is a N-acyl-hexosamine.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…