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PPI-1040

CAT: 0013-GTR19241601-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241601-01Size:10 mg
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Description
PPI-1040 is an ethyl ether phospholipid that effectively normalizes hyperactive behavior in murine models. This compound is utilized in neuroscience research to investigate lipid metabolism and neurobehavioral disorders in vivo. Its precursor, PPI-1011, does not produce this effect when co-administered.
CAS Number
1436673-69-6
Smiles
O (CC (OC (CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC) =O) CO/C=C\CCCCCCCCCCCCCC) P1 (=O) NCCO1
Molecular Formula
C43H72NO6P
Molecular Weight
730.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ppi-1040
CAS Number1436673-69-6
PubChem CID89584363
IUPAC Name[1-[(Z)-hexadec-1-enoxy]-3-[(2-oxo-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Molecular FormulaC43H72NO6P
Molecular Weight730.0
XLogP13.1
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count35
Heavy Atom Count51
Formal Charge0
Complexity1080
SMILES
CCCCCCCCCCCCCC/C=C\OCC(COP1(=O)NCCO1)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C43H72NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)50-42(41-49-51(46)44-37-39-48-51)40-47-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41H2,1-2H3,(H,44,46)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-,38-35-
InChIKey
SKDNPCDRIUQGAL-XTJCVSPVSA-N
Chemical Structure
2D Structure
2D structure of Ppi-1040
CAS: 1436673-69-6
CID: 89584363
Formula: C43H72NO6P
MW: 730.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight730.0
XLogP313.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count35
Exact Mass729.50972601
Monoisotopic Mass729.50972601
Topological Polar Surface Area83.1 Ų
Heavy Atom Count51
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count7
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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