4-Methylumbelliferyl 2-acetamido-2-deoxy-3-O-(alpha-L-fucopyranosyl)-beta-D-glucopyranoside
Basic information
- CAS
383160-12-1- Standard SMILES
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O- InChIKey
IPZNUDCKTVCLPO-GJWSQKBPSA-N- Molecular formula
- C24H31NO12
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 525.18462542
Names & identifiers
- Preferred name
- 4-Methylumbelliferyl 2-acetamido-2-deoxy-3-O-(alpha-L-fucopyranosyl)-beta-D-glucopyranoside
- IUPAC
- N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
- English name
- 4-Methylumbelliferyl 2-Acetamido-2-deoxy-3-O-(a-L-fucopyranosyl)-b-D-glucopyranoside
- Molecular formula
- C24H31NO12
- Molecular weight
- 525.504
Names & synonyms
383160-12-14-Methylumbelliferyl 2-acetamido-2-deoxy-3-O-(a-L-fucopyranosyl)-b-D-glucopyranoside4-Methylumbelliferyl 2-acetamido-2-deoxy-3-O-(alpha-L-fucopyranosyl)-beta-D-glucopyranosideN-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamideDTXSID7011060127-[[2-(Acetylamino)-2-deoxy-3-O-(6-deoxy-I+/--L-galactopyranosyl)-I(2)-D-glucopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-oneFuc1-α-3GlcNAc1-b-4MUFuc1-alpha-3GlcNAc1-b-4MUFuc1-α-3GlcNAc1-b-4MU, CAS 383160-12-14-Methylumbelliferyl 2-Acetamido-2-deoxy-3-O-(a-L-fucopyranosyl)--D-glucopyranoside4-Methylumbelliferyl 2-Acetamido-2-deoxy-3-O-(α-L-fucopyranosyl)-β-D-glucopyranoside4-Methylumbelliferyl 2-Acetamido-2-deoxy-3-O-(a-L-fucopyranosyl)-b-D-glucopyranoside (>90%)
Show more names
7-[[2-(AcetylaMino)-2-deoxy-3-O-(6-deoxy-α-L-galactopyranosyl)-β-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 869
Physicochemical properties
- Melting point
- 235 · 235-236°C
- Boiling point
- 859.9 · 859.9±65.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- solubility
- Methanol (Slightly), Pyridine (Slightly), Water (Slightly)
- form
- Solid
- pka
- 12.76 · 12.76±0.70(Predicted)
- color
- White
- CAS DataBase Reference
- 383160 · 383160-12-1
Chemistry & industry
Applications
Uses4-Methylumbelliferyl 2-Acetamido-2-deoxy-3-O-(α-L-fucopyranosyl)-β-D-glucopyranoside (cas# 383160-12-1) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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