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C13-112-tetra-tail

CAT: 0931-T77268-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T77268-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1381861-92-2
Target
Liposome, Others
Related Pathways
Metabolism, Others
Bioactivity
C13-112-tetra-tail, a cationic lipid-like compound, features a polar amino alcohol head group, four hydrophobic C13 tails, and a PEG2 linker, making it suitable for formulation into lipid nanoparticles (LNPs) .
Smiles
CCCCCCCCCCCC(O)CN(CCOCCOCCN(CC(O)CCCCCCCCCCC)CC(O)CCCCCCCCCCC)CC(O)CCCCCCCCCCC
Molecular Formula
C58H120N2O6
Molecular Weight
941.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C13-112-tetra-tail
CAS Number1381861-92-2
PubChem CID60146155
IUPAC Name1-[2-[2-[2-[bis(2-hydroxytridecyl)amino]ethoxy]ethoxy]ethyl-(2-hydroxytridecyl)amino]tridecan-2-ol
Molecular FormulaC58H120N2O6
Molecular Weight941.6
XLogP19.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count57
Heavy Atom Count66
Formal Charge0
Complexity770
SMILES
CCCCCCCCCCCC(CN(CCOCCOCCN(CC(CCCCCCCCCCC)O)CC(CCCCCCCCCCC)O)CC(CCCCCCCCCCC)O)O
InChI
InChI=1S/C58H120N2O6/c1-5-9-13-17-21-25-29-33-37-41-55(61)51-59(52-56(62)42-38-34-30-26-22-18-14-10-6-2)45-47-65-49-50-66-48-46-60(53-57(63)43-39-35-31-27-23-19-15-11-7-3)54-58(64)44-40-36-32-28-24-20-16-12-8-4/h55-58,61-64H,5-54H2,1-4H3
InChIKey
IFGATSAUKMGDOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of C13-112-tetra-tail
CAS: 1381861-92-2
CID: 60146155
Formula: C58H120N2O6
MW: 941.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight941.6
XLogP319.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count57
Exact Mass940.91463955
Monoisotopic Mass940.91463955
Topological Polar Surface Area106 Ų
Heavy Atom Count66
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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