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18:0 PE-DTPA

CAT: 0804-HY-N15769Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N15769Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
18:0 PE-DTPA is a spin-labeled lipid and interacts with other membrane lipids[1].
CAS Number
1585969-98-7
UNSPSC
12352211
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
CCCCCCCCCCCCCCCCCC(O[C@H](COC(CCCCCCCCCCCCCCCCC)=O)COP(OCCNC(CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC(O)=O)=O)(O)=O)=O
Molecular Formula
C55H103N4O17P
Molecular Weight
1123.40
References & Citations
[1]Jan Vavra, et al. Supported Lipid Bilayers on Fluorescent Nanodiamonds: A Structurally Defined and Versatile Coating for Bioapplications. Advanced Functional Materials. 19 September 2018.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CAS Number1585969-98-7
PubChem CID147506328
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
Molecular FormulaC55H103N4O17P
Molecular Weight1123.4
XLogP6.6
Topological Polar Surface Area296
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count60
Heavy Atom Count77
Formal Charge0
Complexity1590
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C55H103N4O17P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-54(69)73-46-48(76-55(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-75-77(71,72)74-40-35-56-49(60)41-58(43-51(63)64)38-36-57(42-50(61)62)37-39-59(44-52(65)66)45-53(67)68/h48H,3-47H2,1-2H3,(H,56,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,71,72)/t48-/m1/s1
InChIKey
FIKFVIUXRLDPMC-QSCHNALKSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CAS: 1585969-98-7
CID: 147506328
Formula: C55H103N4O17P
MW: 1123.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1123.4
XLogP36.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count60
Exact Mass1122.70558483
Monoisotopic Mass1122.70558483
Topological Polar Surface Area296 Ų
Heavy Atom Count77
Formal Charge0
Complexity1590
Isotope Atom Count0
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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