Gal-(1-3)mgc
Basic information
- CAS
75669-79-3- Standard SMILES
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O- InChIKey
JPIHIQIYWZWIPU-ATCGGQGBSA-N- Molecular formula
- C15H27NO11
- Average molar mass
- 397.37 g/mol
- Monoisotopic mass
- 397.15841068
Names & identifiers
- Preferred name
- Gal-(1-3)mgc
- IUPAC
- N-[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- English name
- Methyl 2-Acetamido-2-Deoxy-3-O-(b-D-Galactopyranosyl)- a-D-Galactopyranoside
- Molecular formula
- C15H27NO11
- Molecular weight
- 397.374
Names & synonyms
75669-79-3GAL-(1-3)MGCDTXSID20415339RefChem:345978DTXCID20366190Methyl 2-acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-a-D-galactopyranosideN-[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideMethyl 2-Acetamido-2-Deoxy-3-O-(b-D-Galactopyranosyl)-alpha-D-Galactopyranosidemethyl 2-acetamido-2-deoxy-3-O-(beta-d-galactopyranosyl)-alpha-d-galactopyranosideGal-b-1,3-GalNAc-a-Ome1ugxN-[(2S,3R,4R,5R,6R)-5-HYDROXY-6-(HYDROXYMETHYL)-2-METHOXY-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-3-YL]ACETAMIDE
Show more names
Gal1-b-3GalNAc1-α-OMeGal1-β-3GalNAc1-α-OMeMethyl 2-Acetamido-2-Deoxy-3-O-(β-D-Galactopyranosyl)- a-D-GalactopyranosideMethyl 2-Acetamido-2-Deoxy-3-O-(b-D-Galactopyranosyl)- α-D-Galactopyranosideα-D-Galactopyranoside, methyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-Methyl 2-Acetamido-2-Deoxy-3-O-(b-D-Galactopyranosyl)-α-D-Galactopyranoside, CAS 75669-79-3
a-Methyl T-antigenGal1-b-3GalNAc1-alpha-OMeOM04746DB-255185Methyl 2-Acetamido-2-Deoxy-3-O-(b-D-Galactopyranosyl)-Methyl2-acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-a-D-galactopyranosideMethyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosideMethyl beta-D-galactopyranosyl-(1-->3)-2-acetamido-2-deoxy-alpha-D-galactopyranoside
Database identifiers
- CAS
75669-79-3- PubChem CID
- 5288342
- DTXSID
DTXSID20415339- Nikkaji
- J482.439C
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Melting point
- 270 · 270-272°C dec.
- Boiling point
- 743.3 · 743.3±60.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 12.86 · 12.86±0.70(Predicted)
- color
- White
Chemistry & industry
Applications
UsesA substrate for 2,3-O-Sialyltransferase. A synthetic derivative of T antigen, a tumor associated disaccharide.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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