4-(3-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}anilino)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(3-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}anilino)-4-oxobutanoic acid
• CAS No.: 6096-07-7
• Molecular Formula: C29H29N5O7S
• Molecular Weight: 591.6349
• DSSTox Substance ID: DTXSID00411359

Synonyms:6096-07-7;DTXSID00411359;4-(3-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}anilino)-4-oxobutanoic acid

Chemical Property of 4-(3-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}anilino)-4-oxobutanoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.48g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 591.17876945
• Heavy Atom Count: 42
• Complexity: 873

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCC(=O)O)CSC4=NN=NN4C5=CC=C(C=C5)O

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