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24:0 Lyso PC-13C6

CAT: 0804-HY-138622SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138622SSize:1 mg
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Description
24:0 Lyso PC-13C6 is the 13C labeled 24:0 Lyso PC. 24:0 Lyso PC is a lysophospholipid (LyP) . 24:0 Lyso PC could be used for mRNA drug delivery[1].
CAS Number
2483735-01-7
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/24-0-lyso-pc-13c6.html
Purity
97.5
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCCCC[13CH2][13CH2][13CH2][13CH2][13CH2][13C](OC[C@@H](O)COP(OCC[N+](C)(C)C)([O-])=O)=O
Molecular Formula
C26 13C6H66NO7P
Molecular Weight
613.80
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

24:0 Lyso PC-13C6
CAS Number2483735-01-7
PubChem CID162642584
IUPAC Name[(2R)-2-hydroxy-3-(1,2,3,4,5,6-13C6)tetracosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC32H66NO7P
Molecular Weight613.8
XLogP9.9
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count32
Heavy Atom Count41
Formal Charge0
Complexity634
SMILES
CCCCCCCCCCCCCCCCCC[13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C32H66NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(35)38-29-31(34)30-40-41(36,37)39-28-27-33(2,3)4/h31,34H,5-30H2,1-4H3/t31-/m1/s1/i22+1,23+1,24+1,25+1,26+1,32+1
InChIKey
SKJMUADLQLZAGH-JFXUZDSLSA-N
Chemical Structure
2D Structure
2D structure of 24:0 Lyso PC-13C6
CAS: 2483735-01-7
CID: 162642584
Formula: C32H66NO7P
MW: 613.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight613.8
XLogP39.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count32
Exact Mass613.47781945
Monoisotopic Mass613.47781945
Topological Polar Surface Area105 Ų
Heavy Atom Count41
Formal Charge0
Complexity634
Isotope Atom Count6
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes