Valproyl-adenylic acid

Base Information

• Chemical Name: Valproyl-adenylic acid
• CAS No.: 140233-88-1
• Molecular Formula: C18H28N5O8P
• Molecular Weight: 473.4174
• DSSTox Substance ID: DTXSID60161267
• Wikidata: Q83029622
• Mol file: 140233-88-1.mol

Synonyms:valproyl-adenylic acid;valproyl-AMP

Chemical Property of Valproyl-adenylic acid

Chemical Property:

• Vapor Pressure: 1.54E-22mmHg at 25°C
• Boiling Point: 732.7°Cat760mmHg
• Flash Point: 396.9°C
• PSA: 201.95000
• Density: 1.67g/cm³
• LogP: 1.48550
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 473.16754987
• Heavy Atom Count: 32
• Complexity: 684

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
• Isomeric SMILES: CCCC(CCC)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O