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SQDG

CAT: 0931-T74288-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T74288-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123036-44-2
Target
Liposome, Others
Related Pathways
Others, Metabolism
Bioactivity
SQDG, a membrane glycolipid characterized by sugar moieties in its head groups, is instrumental in studying the influence of structural lipids in LNP formulations [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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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