Dibutyryl cyclic 3',5'-cytidine monophosphate

Base Information

• Chemical Name: Dibutyryl cyclic 3',5'-cytidine monophosphate
• CAS No.: 64649-87-2
• Molecular Formula: C17H24 N3 O9 P
• Molecular Weight: 445.36
• DSSTox Substance ID: DTXSID40276287
• Nikkaji Number: J373.698I
• Wikidata: Q82006721
• Mol file: 64649-87-2.mol

Synonyms:2'-O-dibutyryl cytidine 3',5'-cyclic monophosphate;dbcCMP;dibutyryl cCMP;dibutyryl cyclic-3',5'-cytidine monophosphate

Chemical Property of Dibutyryl cyclic 3',5'-cytidine monophosphate

Chemical Property:

• PKA: 0.80±0.60(Predicted)
• PSA: 165.09000
• Density: 1.63±0.1 g/cm3(Predicted)
• LogP: 1.18000
• Storage Temp.: −20°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 445.12501635
• Heavy Atom Count: 30
• Complexity: 814

Purity/Quality:

≥ 97 % by HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC1=NC(=O)N(C=C1)C2C(C3C(O2)COP(=O)(O3)O)OC(=O)CCC
• Isomeric SMILES: CCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@H]3[C@H](O2)COP(=O)(O3)O)OC(=O)CCC

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