Diiodo-philanthotoxin-343-lysine

Base Information

• Chemical Name: Diiodo-philanthotoxin-343-lysine
• CAS No.: 134419-07-1
• Molecular Formula: C29H51 I2 N7 O4
• Molecular Weight: 813.55068
• DSSTox Substance ID: DTXSID40158690
• Wikidata: Q83027007
• Mol file: 134419-07-1.mol

Synonyms:diiodo-philanthotoxin-343-lysine;I-PhTX-343-Lys

Chemical Property of Diiodo-philanthotoxin-343-lysine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 194.10000
• Density: 1.469g/cm³
• LogP: 6.56040
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 24
• Exact Mass: 811.20951
• Heavy Atom Count: 42
• Complexity: 741

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCCN)N
• Isomeric SMILES: CCCC(=O)N[C@@H](CC1=CC(=C(C(=C1)[125I])O)[125I])C(=O)NCCCNCCCCNCCCNC(=O)[C@H](CCCCN)N