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19:0 Lyso PE-d5

CAT: 0804-HY-146844S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146844S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
19:0 Lyso PE-d5 is deuterium labeled 19:0 Lyso PE.
CAS Number
2342575-09-9
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCCCCC(OC([2H])([2H])[C@](O)([2H])C([2H])([2H])OP(OCCN)(O)=O)=O
Molecular Formula
C24H45D5NO7P
Molecular Weight
500.66
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

19:0 Lyso PE-d5
CAS Number2342575-09-9
PubChem CID146171604
IUPAC Name[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropyl] nonadecanoate
Molecular FormulaC24H50NO7P
Molecular Weight500.7
XLogP4
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count26
Heavy Atom Count33
Formal Charge0
Complexity493
SMILES
[2H][C@@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCCC)(C([2H])([2H])OP(=O)(O)OCCN)O
InChI
InChI=1S/C24H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25/h23,26H,2-22,25H2,1H3,(H,28,29)/t23-/m1/s1/i21D2,22D2,23D
InChIKey
GEWUBFCXNZWHKH-GWRKHGKMSA-N
Chemical Structure
2D Structure
2D structure of 19:0 Lyso PE-d5
CAS: 2342575-09-9
CID: 146171604
Formula: C24H50NO7P
MW: 500.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.7
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count26
Exact Mass500.36387366
Monoisotopic Mass500.36387366
Topological Polar Surface Area128 Ų
Heavy Atom Count33
Formal Charge0
Complexity493
Isotope Atom Count5
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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