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DSPE-Thiol

CAT: 0013-GTR19219975-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219975-01Size:5 mg
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Description
DSPE-Thiol is a phospholipid derivative featuring a terminal thiol group, enabling its selective conjugation with maleimide-functionalized molecules. This property is utilized to create phospholipid dimers and is applied in constructing liposomes and drug delivery systems for both in vitro and in vivo research.
CAS Number
144735-82-0
Field of Research
Metabolism Research
Smiles
CCCCCCCCCCCCCCCCCC (=O) OC[C@H] (COP (O) (=O) OCCNC (=O) CCS) OC (=O) CCCCCCCCCCCCCCCCC
Molecular Formula
C44H86NO9PS
Molecular Weight
836.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DSPE-Thiol
CAS Number144735-82-0
PubChem CID15087996
IUPAC Name[(2R)-3-[hydroxy-[2-(3-sulfanylpropanoylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC44H86NO9PS
Molecular Weight836.2
XLogP15.2
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count46
Heavy Atom Count56
Formal Charge0
Complexity957
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCS)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H86NO9PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(47)51-39-41(40-53-55(49,50)52-37-36-45-42(46)35-38-56)54-44(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,56H,3-40H2,1-2H3,(H,45,46)(H,49,50)/t41-/m1/s1
InChIKey
VPGMYYHJMRLITI-VQJSHJPSSA-N
Chemical Structure
2D Structure
2D structure of DSPE-Thiol
CAS: 144735-82-0
CID: 15087996
Formula: C44H86NO9PS
MW: 836.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight836.2
XLogP315.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count46
Exact Mass835.57609149
Monoisotopic Mass835.57609149
Topological Polar Surface Area138 Ų
Heavy Atom Count56
Formal Charge0
Complexity957
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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