[3-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate

Base Information

• Chemical Name: [3-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
• CAS No.: 3152-52-1
• Molecular Formula: C44H81 N3 O15 P2
• Molecular Weight: 992.16
• DSSTox Substance ID: DTXSID80399944
• Mol file: 3152-52-1.mol

Synonyms:[3-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate;3152-52-1;AC1N5R4Z;DTXSID80399944

Chemical Property of [3-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate

Chemical Property:

• Boiling Point: 951.6±75.0 °C(Predicted)
• PKA: 1.14±0.50(Predicted)
• PSA: 286.10000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 9.45530
• Storage Temp.: −20°C
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 42
• Exact Mass: 953.51429288
• Heavy Atom Count: 64
• Complexity: 1470

Purity/Quality:

99%min ^*data from raw suppliers

1,2-DIHEXADECANOYL-SN-GLYCERO-3-DIPHOSPHOCYTIDINE POTASSIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC