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SQDG

CAT: 0013-GTR19221359-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221359-01Size:5 mg
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Description
SQDG is a sulfated plant glycolipid used as a structural lipid in lipid nanoparticle (LNP) research. It is applied in both in vitro and in vivo studies to investigate how helper lipids influence LNP stability, delivery efficiency, and biodistribution for nucleic acid therapeutics.
CAS Number
123036-44-2
Field of Research
Metabolism Research
Smiles
CCCCCCCCCCCCCCCC (=O) O[C@@H] (CO[C@H]1O[C@H] (CS (O) (=O) =O) [C@@H] (O) [C@H] (O) [C@H]1O) COC (=O) CCCCCCC\C=C/C\C=C/C\C=C/CC
Molecular Formula
C43H76O12S
Molecular Weight
817.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

((2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((S)-3-((9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy)-2-(palmitoyloxy)propoxy)tetrahydro-2H-pyran-2-yl)methanesulfonic acid

SQDG(18:3(9Z,12Z,15Z)/16:0) is a sulfoquinovosyldiacylglycerol 34:3.

CAS Number123036-44-2
PubChem CID15719992
IUPAC Name[(2S,3S,4S,5R,6S)-6-[(2S)-2-hexadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
Molecular FormulaC43H76O12S
Molecular Weight817.1
XLogP10.2
Topological Polar Surface Area195
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count37
Heavy Atom Count56
Formal Charge0
Complexity1180
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C43H76O12S/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-43,46-48H,3-4,6,8-10,12,14-16,19-35H2,1-2H3,(H,49,50,51)/b7-5-,13-11-,18-17-/t36-,37-,40-,41+,42-,43+/m1/s1
InChIKey
ZAHARQGLYKGAHR-XBZAAVCRSA-N
Chemical Structure
2D Structure
2D structure of ((2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((S)-3-((9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy)-2-(palmitoyloxy)propoxy)tetrahydro-2H-pyran-2-yl)methanesulfonic acid
CAS: 123036-44-2
CID: 15719992
Formula: C43H76O12S
MW: 817.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight817.1
XLogP310.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count37
Exact Mass816.50574903
Monoisotopic Mass816.50574903
Topological Polar Surface Area195 Ų
Heavy Atom Count56
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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