2,4-Dihydroxy-2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethoxybenzyl)butyramide

Base Information

• Chemical Name: 2,4-Dihydroxy-2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethoxybenzyl)butyramide
• CAS No.: 132472-34-5
• Molecular Formula: C21H27NO7
• Molecular Weight: 405.4416
• DSSTox Substance ID: DTXSID70157595

Synonyms:DHDB;132472-34-5;2,4-Dihydroxy-2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethoxybenzyl)butyramide;Benzenebutanamide, alpha-hydroxy-alpha-((4-hydroxy-3-methoxyphenyl)methyl)-beta-(hydroxymethyl)-3,4-dimethoxy-, (S-(R*,R*))-;DTXSID70157595;(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydroxy-2-[(4-hydroxy-3-methoxy-phenyl)methyl]butanamide;Benzenebutanamide, .alpha.-hydroxy-.alpha.-[(4-hydroxy-3-methoxyphenyl)methyl]-.beta.-(hydroxymethyl)-3,4-dimethoxy-, [S-(R*,R*)]-

Chemical Property of 2,4-Dihydroxy-2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethoxybenzyl)butyramide

Chemical Property:

• Vapor Pressure: 5.39E-21mmHg at 25°C
• Boiling Point: 707.3°C at 760 mmHg
• Flash Point: 381.5°C
• Density: 1.284g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 405.17875220
• Heavy Atom Count: 29
• Complexity: 519

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)(C(=O)N)O)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)C[C@@H](CO)[C@@](CC2=CC(=C(C=C2)O)OC)(C(=O)N)O)OC

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