2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(7-hydroxyheptyl)-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(7-hydroxyheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
• CAS No.: 152928-84-2
• Molecular Formula: C33H50N2O5
• Molecular Weight: 554.7605
• DSSTox Substance ID: DTXSID60165169
• Wikidata: Q83034315
• ChEMBL ID: CHEMBL283885

Synonyms:152928-84-2;2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(7-hydroxyheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-;(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(7-hydroxyheptyl)-1,3-diazepan-2-one;DMPC Cyclic Urea 61;BDBM81;CHEMBL283885;DTXSID60165169

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

Chemical Property:

• Vapor Pressure: 3.13E-22mmHg at 25°C
• Boiling Point: 727.7°C at 760 mmHg
• Flash Point: 393.9°C
• Density: 1.135g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 18
• Exact Mass: 554.37197270
• Heavy Atom Count: 40
• Complexity: 613

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)N2CCCCCCCO)CCCCCCCO)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)N2CCCCCCCO)CCCCCCCO)CC3=CC=CC=C3)O)O

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