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18:1 Dodecanyl PE

CAT: 0804-HY-W800795Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W800795Size:1 Each
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Description
18:1 Dodecanyl PE is a carboxylic acid-functionalized lipid with a ten carbon linker to a phosphoethanolamine bound to two oleic acid tails.
CAS Number
474923-47-2
Product Name Alternative
DOPE-NG; 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N- (dodecanoyl)
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Liposome
Type
Biochemical Assay Reagents
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/18-1-dodecanyl-pe.html
Smiles
[C@@H](COP(OCCNC(CCCCCCCCCCC(O)=O)=O)(=O)O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O.[Na]
Molecular Formula
C53H98NNaO11P
Molecular Weight
979.31
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Sawant RR, Sriraman SK, Navarro G, Biswas S, Dalvi RA, Torchilin VP. Polyethyleneimine-lipid conjugate-based pH-sensitive micellar carrier for gene delivery. Biomaterials. 2012;33 (15) :3942-3951.|[2]Navarro G, Essex S, Sawant RR, et al. Phospholipid-modified polyethylenimine-based nanopreparations for siRNA-mediated gene silencing: implications for transfection and the role of lipid components. Nanomedicine. 2014;10 (2) :411-419.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Sodium (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl 2-[(11-carboxyundecanoyl)amino]ethyl phosphate
CAS Number474923-47-2
PubChem CID46907850
IUPAC Namesodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-(11-carboxyundecanoylamino)ethyl phosphate
Molecular FormulaC53H97NNaO11P
Molecular Weight978.3
Topological Polar Surface Area178
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count53
Heavy Atom Count67
Formal Charge0
Complexity1270
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
InChI
InChI=1S/C53H98NO11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-35-39-43-52(58)62-47-49(65-53(59)44-40-36-32-26-24-22-20-18-16-14-12-10-8-6-4-2)48-64-66(60,61)63-46-45-54-50(55)41-37-33-29-27-28-30-34-38-42-51(56)57;/h17-20,49H,3-16,21-48H2,1-2H3,(H,54,55)(H,56,57)(H,60,61);/q;+1/p-1/b19-17-,20-18-;/t49-;/m1./s1
InChIKey
AHHCDNFLXOEQMC-VXILFBGRSA-M
Chemical Structure
2D Structure
2D structure of Sodium (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl 2-[(11-carboxyundecanoyl)amino]ethyl phosphate
CAS: 474923-47-2
CID: 46907850
Formula: C53H97NNaO11P
MW: 978.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight978.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count53
Exact Mass977.66969419
Monoisotopic Mass977.66969419
Topological Polar Surface Area178 Ų
Heavy Atom Count67
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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