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18:1 Lysyl PG

CAT: 0931-T205508-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205508-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246303-07-0
Bioactivity
18:1 Lysyl PG (Lysyl-DOPG) is a cationic phospholipid composed of lysine groups and DOPG.
Smiles
NCCCC[C@H](N)C(OCC(O)COP(OC[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O)(O)=O)=O.Cl.Cl
Molecular Formula
C48H93Cl2N2O11P
Molecular Weight
976.139
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

18:1 Lysyl PG Hydrochloride
CAS Number1246303-07-0
PubChem CID145710751
IUPAC Name[(2R)-3-[[3-[(2S)-2,6-diaminohexanoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate;hydrochloride
Molecular FormulaC48H92ClN2O11P
Molecular Weight939.7
Topological Polar Surface Area207
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count49
Heavy Atom Count63
Formal Charge0
Complexity1170
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COC(=O)[C@H](CCCCN)N)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.Cl
InChI
InChI=1S/C48H91N2O11P.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-46(52)57-41-44(42-60-62(55,56)59-40-43(51)39-58-48(54)45(50)35-33-34-38-49)61-47(53)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,43-45,51H,3-16,21-42,49-50H2,1-2H3,(H,55,56);1H/b19-17-,20-18-;/t43?,44-,45+;/m1./s1
InChIKey
KIJSNTWEYJNIRD-GBSKVBSLSA-N
Chemical Structure
2D Structure
2D structure of 18:1 Lysyl PG Hydrochloride
CAS: 1246303-07-0
CID: 145710751
Formula: C48H92ClN2O11P
MW: 939.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight939.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count49
Exact Mass938.6127264
Monoisotopic Mass938.6127264
Topological Polar Surface Area207 Ų
Heavy Atom Count63
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes