Vildagliptinboronic acid

Base Information

• Chemical Name: Vildagliptinboronic acid
• CAS No.: 852331-49-8
• Molecular Formula: C16H27BN2O4
• Molecular Weight: 322.21
• DSSTox Substance ID: DTXSID60704870
• Pharos Ligand ID: JA8PVKJB84KV
• ChEMBL ID: CHEMBL3686739
• Mol file: 852331-49-8.mol

Synonyms:Vildagliptinboronic acid;852331-49-8;[(2R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidin-2-yl]boronic acid;SCHEMBL3189715;CHEMBL3686739;DTXSID60704870;BDBM142096;AKOS025402385;AC-8757;{(2R)-1-[N-(3-Hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl)glycyl]pyrrolidin-2-yl}boronic acid

Chemical Property of Vildagliptinboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: 566.005 °C at 760 mmHg
• Flash Point: 296.11 °C
• PSA: 93.03000
• Density: 1.315 g/cm³
• LogP: 0.41140
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 322.2063875
• Heavy Atom Count: 23
• Complexity: 487

Purity/Quality:

99.0%, High purity. ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1CCCN1C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)(O)O
• Isomeric SMILES: B([C@@H]1CCCN1C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)(O)O