5-Mercaptouridine 5'-diphosphate

Base Information

• Chemical Name: 5-Mercaptouridine 5'-diphosphate
• CAS No.: 58380-73-7
• Molecular Formula: C9H14 N2 O12 P2 S
• Molecular Weight: 436.23
• DSSTox Substance ID: DTXSID80207095
• Wikidata: Q83080985
• Mol file: 58380-73-7.mol

Synonyms:5-mercaptouridine 5'-diphosphate

Chemical Property of 5-Mercaptouridine 5'-diphosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 276.52000
• Density: 2.02g/cm³
• LogP: -1.91690
• XLogP3: -4.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 435.97426906
• Heavy Atom Count: 26
• Complexity: 724

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O)S
• Isomeric SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)S