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DSPE-Pyrene

CAT: 0013-GTR19248660-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248660-01Size:100 mg
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Description
DSPE-Pyrene is a phospholipid molecule that contains polycyclic aromatic hydrocarbons and can be utilized for drug encapsulation in systems such as drug-loaded liposomes or nanoparticles. Pyrene serves as a fluorescent probe with spectral properties highly sensitive to the polarity of its surrounding environment.
CAS Number
2933318-11-5
Field of Research
Metabolism Research
Smiles
CCCCCCCCCCCCCCCCCC (OC[C@] (OC (CCCCCCCCCCCCCCCCC) =O) ([H]) COP (OCCNC (CCCC1=CC2=CC=CC3=CC=C4C (C1=CC=C4) =C23) =O) (O) =O) =O
Molecular Formula
C61H96NO9P
Molecular Weight
1018.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DSPE-Pyrene
CAS Number2933318-11-5
PubChem CID163297151
IUPAC Name[(2R)-3-[hydroxy-[2-(4-pyren-4-ylbutanoylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC61H96NO9P
Molecular Weight1018.4
XLogP20.3
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count48
Heavy Atom Count72
Formal Charge0
Complexity1450
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C61H96NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42-58(64)68-49-55(71-59(65)43-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50-70-72(66,67)69-47-46-62-57(63)41-35-38-53-48-54-39-33-36-51-44-45-52-37-34-40-56(53)61(52)60(51)54/h33-34,36-37,39-40,44-45,48,55H,3-32,35,38,41-43,46-47,49-50H2,1-2H3,(H,62,63)(H,66,67)/t55-/m1/s1
InChIKey
TYQRVQWCYNAOLV-KZRJWCEASA-N
Chemical Structure
2D Structure
2D structure of DSPE-Pyrene
CAS: 2933318-11-5
CID: 163297151
Formula: C61H96NO9P
MW: 1018.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1018.4
XLogP320.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count48
Exact Mass1017.68227064
Monoisotopic Mass1017.68227064
Topological Polar Surface Area137 Ų
Heavy Atom Count72
Formal Charge0
Complexity1450
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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