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Phosphatidic Acid, Dioleoyl

CAT: 0024-sc-201059Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-201059Size:10 mg
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CAS Number
108392-02-5

Chemical Information

1,2-DI[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt
CAS Number108392-02-5
PubChem CID131865588
Molecular FormulaC39H73NaO8P
Molecular Weight724.0
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Heavy Atom Count49
Formal Charge0
Complexity838
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na]
InChI
InChI=1S/C39H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44);/b19-17-,20-18-;/t37-;/m1./s1
InChIKey
KHDHADSEKGCPKW-ZBFGHDQJSA-N
Chemical Structure
2D Structure
2D structure of 1,2-DI[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt
CAS: 108392-02-5
CID: 131865588
Formula: C39H73NaO8P
MW: 724.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight724.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Exact Mass723.49407556
Monoisotopic Mass723.49407556
Topological Polar Surface Area119 Ų
Heavy Atom Count49
Formal Charge0
Complexity838
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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