N-[8-hydroxy-6-(4-methyl-2-oxochromen-7-yl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
Basic information
- CAS
55673-91-1- Standard SMILES
CC(=O)NC1C(Oc2ccc3c(C)cc(=O)oc3c2)OC2COC(c3ccccc3)OC2C1O- InChIKey
BPLXEJLPANVWGR-UHFFFAOYSA-N- Molecular formula
- C25H25NO8
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.15801676
Names & identifiers
- Preferred name
- N-[8-hydroxy-6-(4-methyl-2-oxochromen-7-yl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
- IUPAC
- N-[8-hydroxy-6-(4-methyl-2-oxochromen-7-yl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
- English name
- 4-METHYLUMBELLIFERYL-2-ACETAMIDO-4,6-*O- BENZYLIDENE
- Molecular formula
- C25H25NO8
- Molecular weight
- 467.47
Names & synonyms
55673-91-14-METHYLUMBELLIFERYL-2-ACETAMIDO-4,6-*O- BENZYLIDENEAC1NJ0IZN-[8-hydroxy-6-(4-methyl-2-oxochromen-7-yl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamideDTXSID704066114-Methyl-2-oxo-2H-1-benzopyran-7-yl 2-acetamido-4,6-O-benzylidene-2-deoxyhexopyranosideN-(8-hydroxy-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide4-methylumbelliferyl-2-acetamido-4,6-*O-benzylide4-methylumbelliferyl-2-acetamido-4,6-benzylidene-2-deoxy..4-Methylumbelliferyl-2-acetamido-4,6-0-benzylidene-2-deoxy-β-D-glucopyranoside4-Methylumbelliferyl-2-acetamido-4,6-O-benzylidene-2-deoxy-beta-D-glucopyranoside2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-β-D-glucopyranosyl]oxy]-4-methyl-
Database identifiers
- CAS
55673-91-1- PubChem CID
- 4839722
- DTXSID
DTXSID70406611
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 796
Physicochemical properties
- Boiling point
- 770.758 · 770.758±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.415 · 1.415±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 12.591 · 12.591±0.70(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…