Phenyl-alpha-2-fucosyl-beta-D-galactoside
Basic information
- CAS
80387-94-6- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
XUSMCHNFKFZYCZ-KHFTUBCFSA-N- Molecular formula
- C18H26O10
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.15259702
Names & identifiers
- Preferred name
- Phenyl-alpha-2-fucosyl-beta-D-galactoside
- IUPAC
- (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- English name
- phenyl-alpha-2-fucosyl-beta-D-galactoside
- Molecular formula
- C18H26O10
- Molecular weight
- 402.39
Names & synonyms
PAFBGPhenyl-alpha-2-fucosyl-beta-D-galactoside80387-94-6RefChem:172985DTXSID801001209Phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranosidebeta-D-Galactopyranoside, phenyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-phenyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranosideβ-D-Galactopyranoside, phenyl 2-O-(6-deoxy-α-L-galactopyranosyl)-
Database identifiers
- CAS
80387-94-6- PubChem CID
- 133459
- DTXSID
DTXSID801001209
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Boiling point
- 660.2 · 660.2±55.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 12.73 · 12.73±0.70(Predicted)
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Compound notes
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