N'-(1,2-Dimyristoyl-sn-glycero-3-phosphoethyl)-N-(3-(3-trifluoromethyl)diazirine)phenylthiourea

Base Information

• Chemical Name: N'-(1,2-Dimyristoyl-sn-glycero-3-phosphoethyl)-N-(3-(3-trifluoromethyl)diazirine)phenylthiourea
• CAS No.: 137043-97-1
• Molecular Formula: C42H70 F3 N4 O8 P S
• Molecular Weight: 879.0611706
• DSSTox Substance ID: DTXSID50160042
• Mol file: 137043-97-1.mol

Synonyms:C14-PED;N'-(1,2-dimyristoyl-sn-glycero-3-phosphoethyl)-N-(3-(3-trifluoromethyl)diazirine)phenylthiourea

Chemical Property of N'-(1,2-Dimyristoyl-sn-glycero-3-phosphoethyl)-N-(3-(3-trifluoromethyl)diazirine)phenylthiourea

Chemical Property:

• Boiling Point: 832°Cat760mmHg
• Flash Point: 457°C
• PSA: 206.08000
• Density: 1.2g/cm³
• LogP: 11.50020
• XLogP3: 13.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 38
• Exact Mass: 878.46040786
• Heavy Atom Count: 59
• Complexity: 1240

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=S)NC1=CC=CC(=C1)C2(N=N2)C(F)(F)F)OC(=O)CCCCCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=S)NC1=CC=CC(=C1)C2(N=N2)C(F)(F)F)OC(=O)CCCCCCCCCCCCC