[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Base Information

• Chemical Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
• CAS No.: 149674-24-8
• Molecular Formula: C10H18 N3 O13 P3
• Molecular Weight: 481.18
• DSSTox Substance ID: DTXSID80933701
• Nikkaji Number: J3.182.159B
• Wikidata: Q82909528
• Mol file: 149674-24-8.mol

Synonyms:MDCTP;N(4)-methyl-2'-deoxycytidine 5'-triphosphate

Chemical Property of [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Chemical Property:

• Boiling Point: 774°Cat760mmHg
• Flash Point: 421.9°C
• Density: 2.2g/cm³
• XLogP3: -5.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 481.00524863
• Heavy Atom Count: 29
• Complexity: 840

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC1=NC(=O)N(C=C1)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
• Isomeric SMILES: CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O