2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

Base Information

• Chemical Name: 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
• CAS No.: 167824-62-6
• Molecular Formula: C31H46 N2 O5
• Molecular Weight: 526.7073
• DSSTox Substance ID: DTXSID10168387
• Wikidata: Q83037982
• ChEMBL ID: CHEMBL29342
• Mol file: 167824-62-6.mol

Synonyms:167824-62-6;2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-;(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-1,3-diazepan-2-one;DMPC Cyclic Urea 78;BDBM98;CHEMBL29342;DTXSID10168387

Chemical Property of 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

Chemical Property:

• Vapor Pressure: 1.29E-18mmHg at 25°C
• Boiling Point: 665.5°Cat760mmHg
• Flash Point: 356.3°C
• Density: 1.112g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 526.34067257
• Heavy Atom Count: 38
• Complexity: 586

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCCCN1C(C(C(C(N(C1=O)CCCCCOC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
• Isomeric SMILES: COCCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCOC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3

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