2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(4-hydroxybutyl)-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(4-hydroxybutyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
• CAS No.: 152928-74-0
• Molecular Formula: C27H38 N2 O5
• Molecular Weight: 470.601
• DSSTox Substance ID: DTXSID80165166
• Wikidata: Q83034310
• ChEMBL ID: CHEMBL29177
• Mol file: 152928-74-0.mol

Synonyms:152928-74-0;2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(4-hydroxybutyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-;(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-hydroxybutyl)-1,3-diazepan-2-one;DMPC Cyclic Urea 67;BDBM87;CHEMBL29177;DTXSID80165166

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

Chemical Property:

• Vapor Pressure: 1.85E-19mmHg at 25°C
• Boiling Point: 680.6°Cat760mmHg
• Flash Point: 365.4°C
• Density: 1.207g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 470.27807232
• Heavy Atom Count: 34
• Complexity: 531

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CCCCO)CCCCO)CC3=CC=CC=C3)O)O
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCCO)CCCCO)CC3=CC=CC=C3)O)O