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Lysophosphatidic Acid

CAT: 0024-sc-201053Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-201053Size:5 mg
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CAS Number
325465-93-8

Chemical Information

(2R)-2-Hydroxy-3-(phosphonooxy)propyl (9Z)-9-octadecenoate sodium salt (1:1)
CAS Number325465-93-8
PubChem CID44159357
IUPAC Namesodium [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate
Molecular FormulaC21H40NaO7P
Molecular Weight458.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Heavy Atom Count30
Formal Charge0
Complexity474
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])O.[Na+]
InChI
InChI=1S/C21H41O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26;/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26);/q;+1/p-1/b10-9-;/t20-;/m1./s1
InChIKey
XGRLSUFHELJJAB-JGSYTFBMSA-M
Chemical Structure
2D Structure
2D structure of (2R)-2-Hydroxy-3-(phosphonooxy)propyl (9Z)-9-octadecenoate sodium salt (1:1)
CAS: 325465-93-8
CID: 44159357
Formula: C21H40NaO7P
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Exact Mass458.24093489
Monoisotopic Mass458.24093489
Topological Polar Surface Area116 Ų
Heavy Atom Count30
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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