Boroval

Base Information

• Chemical Name: Boroval
• CAS No.: 94242-92-9
• Molecular Formula: C26H45 B N4 O8
• Molecular Weight: 552.47
• DSSTox Substance ID: DTXSID20915945
• Mol file: 94242-92-9.mol

Synonyms:AAPbV;Boroval;MeOSuc-Ala-Ala-Pro-boroVal-pinacol;methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol

Chemical Property of Boroval

Chemical Property:

• Vapor Pressure: 1.42E-20mmHg at 25°C
• Boiling Point: 719.9°Cat760mmHg
• Flash Point: 389.2°C
• PSA: 162.84000
• Density: 1.16g/cm³
• LogP: 3.59090
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 552.3330446
• Heavy Atom Count: 39
• Complexity: 925

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C(C(C)C)N2CCCC2C(=O)NC(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)OC
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C(C(C)C)N2CCC[C@H]2C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC

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