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16:0 PDP PE

CAT: 0804-HY-W719862-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W719862-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
16:0 PDP PE belongs to a class of head group modified functionalized lipids. 16:0 PDP PE has been used in preparation of rhodamine high-density lipoprotein nanoparticle (Rh-HDL NP) synthesis.
CAS Number
474944-16-6
UNSPSC
12352200
Target
Liposome
Type
Biochemical Assay Reagents
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/16-0-pdp-pe.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCC(OC[C@H](COP(OCCNC(CCSSC1=CC=CC=N1)=O)(O[Na])=O)OC(CCCCCCCCCCCCCCC)=O)=O
Molecular Formula
C45H80N2NaO9PS2
Molecular Weight
911.22
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-{3-[(pyridin-2-yl)disulfanyl]propanamido}ethyl phosphate
CAS Number474944-16-6
PubChem CID46907840
IUPAC Namesodium [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethyl phosphate
Molecular FormulaC45H80N2NaO9PS2
Molecular Weight911.2
Topological Polar Surface Area204
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count45
Heavy Atom Count60
Formal Charge0
Complexity1070
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCSSC1=CC=CC=N1)OC(=O)CCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C45H81N2O9PS2.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-44(49)53-39-41(56-45(50)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-55-57(51,52)54-37-36-46-42(48)34-38-58-59-43-31-29-30-35-47-43;/h29-31,35,41H,3-28,32-34,36-40H2,1-2H3,(H,46,48)(H,51,52);/q;+1/p-1/t41-;/m1./s1
InChIKey
IUSHQKJFHVODPF-QUEDAWNRSA-M
Chemical Structure
2D Structure
2D structure of Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-{3-[(pyridin-2-yl)disulfanyl]propanamido}ethyl phosphate
CAS: 474944-16-6
CID: 46907840
Formula: C45H80N2NaO9PS2
MW: 911.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight911.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count45
Exact Mass910.49405576
Monoisotopic Mass910.49405576
Topological Polar Surface Area204 Ų
Heavy Atom Count60
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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