1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, dimethyl ester, (4R,5S,6S,7R)-

Base Information

• Chemical Name: 1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, dimethyl ester, (4R,5S,6S,7R)-
• CAS No.: 152928-76-2
• Molecular Formula: C33H46 N2 O7
• Molecular Weight: 582.7275
• DSSTox Substance ID: DTXSID00165168
• Wikidata: Q83034314
• ChEMBL ID: CHEMBL283801

Synonyms:152928-76-2;1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, dimethyl ester, (4R,5S,6S,7R)-;DMPC Cyclic Urea 56;BDBM76;CHEMBL283801;DTXSID00165168;methyl 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-methoxy-6-oxohexyl)-2-oxo-1,3-diazepan-1-yl]hexanoate;methyl 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-methoxy-6-oxo-hexyl)-2-oxo-1,3-diazepan-1-yl]hexanoate

Chemical Property of 1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, dimethyl ester, (4R,5S,6S,7R)-

Chemical Property:

• Boiling Point: 700.2°Cat760mmHg
• Flash Point: 377.3°C
• Density: 1.164g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 582.33050181
• Heavy Atom Count: 42
• Complexity: 748

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCN1C(C(C(C(N(C1=O)CCCCCC(=O)OC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
• Isomeric SMILES: COC(=O)CCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCC(=O)OC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3

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