2-Amino-6-(hydroxymethyl)-8-oxo-4-(3,4,5-trimethoxyphenyl)-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile

Base Information

• Chemical Name: 2-Amino-6-(hydroxymethyl)-8-oxo-4-(3,4,5-trimethoxyphenyl)-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
• CAS No.: 625376-08-1
• Molecular Formula: C19H18N2O7
• Molecular Weight: 386.4
• DSSTox Substance ID: DTXSID801112076
• ChEMBL ID: CHEMBL1603430
• Mol file: 625376-08-1.mol

Synonyms:625376-08-1;2-amino-6-(hydroxymethyl)-8-oxo-4-(3,4,5-trimethoxyphenyl)-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile;2-amino-6-(hydroxymethyl)-8-oxo-4-(3,4,5-trimethoxyphenyl)-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile;2-amino-6-(hydroxymethyl)-8-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-b]pyran-3-carbonitrile;Pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-4,8-dihydro-6-(hydroxymethyl)-8-oxo-4-(3,4,5-trimethoxyphenyl)-;SMR000014023;2-Amino-6-hydroxymethyl-8-oxo-4-(3,4,5-trimethoxy-phenyl)-4,8-dihydro-pyrano[3,2-b]pyran-3-carbonitrile;MLS000033508;MLS002538893;CHEMBL1603430;DTXSID801112076;HMS2380C24;STL006590;AKOS000666163;AKOS016309185;SS-0453;CS-0319703;AM-807/41929851;F0918-5650;2-Amino-4,8-dihydro-6-(hydroxymethyl)-8-oxo-4-(3,4,5-trimethoxyphenyl)pyrano[3,2-b]pyran-3-carbonitrile

Chemical Property of 2-Amino-6-(hydroxymethyl)-8-oxo-4-(3,4,5-trimethoxyphenyl)-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 386.11140092
• Heavy Atom Count: 28
• Complexity: 777

Purity/Quality:

2-AMINO-6-(HYDROXYMETHYL)-8-OXO-4-(3,4,5-TRIMETHOXYPHENYL)-4,8-DIHYDROPYRANO[3,2-B]PYRAN-3-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N