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C13-113-tetra-tail

CAT: 0931-T77269-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T77269-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1381861-97-7
Target
Liposome, Others
Related Pathways
Others, Metabolism
Bioactivity
C13-113-tetra tail, a cationic lipid-like compound, features a polar amino alcohol head group, a tertiary amine linker, and four hydrophobic carbon-13 tails. It can be formulated into a lipid nanoparticle (LNP) .
Smiles
CCCCCCCCCCCC(O)CN(CCN(C)CCN(CC(O)CCCCCCCCCCC)CC(O)CCCCCCCCCCC)CC(O)CCCCCCCCCCC
Molecular Formula
C57H119N3O4
Molecular Weight
910.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C13-113-tetra-tail
CAS Number1381861-97-7
PubChem CID60146156
IUPAC Name1-[2-[2-[bis(2-hydroxytridecyl)amino]ethyl-methylamino]ethyl-(2-hydroxytridecyl)amino]tridecan-2-ol
Molecular FormulaC57H119N3O4
Molecular Weight910.6
XLogP20.2
Topological Polar Surface Area90.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count54
Heavy Atom Count64
Formal Charge0
Complexity754
SMILES
CCCCCCCCCCCC(CN(CCN(C)CCN(CC(CCCCCCCCCCC)O)CC(CCCCCCCCCCC)O)CC(CCCCCCCCCCC)O)O
InChI
InChI=1S/C57H119N3O4/c1-6-10-14-18-22-26-30-34-38-42-54(61)50-59(51-55(62)43-39-35-31-27-23-19-15-11-7-2)48-46-58(5)47-49-60(52-56(63)44-40-36-32-28-24-20-16-12-8-3)53-57(64)45-41-37-33-29-25-21-17-13-9-4/h54-57,61-64H,6-53H2,1-5H3
InChIKey
NSNDCWPYKQEFCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of C13-113-tetra-tail
CAS: 1381861-97-7
CID: 60146156
Formula: C57H119N3O4
MW: 910.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight910.6
XLogP320.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count54
Exact Mass909.92005929
Monoisotopic Mass909.92005929
Topological Polar Surface Area90.6 Ų
Heavy Atom Count64
Formal Charge0
Complexity754
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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