phenyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside
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Basic information
- CAS
74211-30-6- Standard SMILES
CC(=O)N[C@H]1[C@@H](Oc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
PQTQIHNFBWTMFW-UVFFFCKLSA-N- Molecular formula
- C20H29NO11
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 459.17406074
Overview
substrate for sialyltransferase
Names & identifiers
- Preferred name
- phenyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside
- IUPAC
- N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-phenoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- English name
- phenyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside
- Molecular formula
- C20H29NO11
- Molecular weight
- 459.44436
Names & synonyms
PADGG74211-30-6Phenyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosidealpha-D-Galactopyranoside, phenyl 2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-RefChem:172932SCHEMBL4266170DTXSID70995691Phenyl 2-deoxy-3-O-hexopyranosyl-2-[(1-hydroxyethylidene)amino]hexopyranosidePhenyl 2-deoxy-3-O-beta-D-galactopyranosyl-2-[(1-hydroxyethylidene)amino]-alpha-D-galactopyranosideα-D-Galactopyranoside, phenyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-
Database identifiers
- CAS
74211-30-6- PubChem CID
- 189808
- DTXSID
DTXSID70995691
Properties
Computed structural propertiesFilling in
- XLogP
- -1.8
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- Boiling point
- 801.7 · 801.7±65.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 12.75 · 12.75±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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