Basic information
- CAS
66781-75-7- Standard SMILES
CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)C=O)O[C@H](CO)[C@H](O)[C@@H]1O- InChIKey
MGEICUVBTAEZNP-IVEGRXJSSA-N- Molecular formula
- C14H25NO11
- Average molar mass
- 383.35 g/mol
- Monoisotopic mass
- 383.14276061
Names & identifiers
- Preferred name
- N-acetylgalactosaminyl-alpha(1-3)galactose
- IUPAC
- N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]oxyoxan-3-yl]acetamide
- English name
- N-acetylgalactosaminyl-alpha(1-3)galactose
- Molecular formula
- C14H25NO11
- Molecular weight
- 383.35
Names & synonyms
Galnacalpha1-3Gal66781-75-7N-Acetylgalactosaminyl-alpha(1-3)galactoseDTXSID60216903RefChem:162721DTXCID501393943-O-(2-Acetamido-2-deoxy-a-D-galactopyranosyl)-D-galactopyranoseD-Galactose, 3-O-(2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl)-SCHEMBL29736885OA080853-O-(2-Acetamido-2-deoxy-alpha-D-galactopyranosyl)-D-galactoseN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,3R)-2,3,4-trihydroxy-1-[(1R)-1-hydroxy-2-oxo-ethyl]butoxy]tetrahydropyran-3-yl]acetamide
Show more names
D-Galactose, 3-O-[2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]-
Database identifiers
- CAS
66781-75-7- PubChem CID
- 6455366
- DTXSID
DTXSID60216903
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Boiling point
- 864.2 · 864.2±65.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 12.26 · 12.26±0.20(Predicted)
Chemistry & industry
Suppliers2 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Carbosynth[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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