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POPS, Na

CAT: 1118-LP-R4-249-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1118-LP-R4-249-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
321863-21-2
Purity
≥99% (TLC)
Molecular Weight
718
Related Products
DLPS, Na, DMPS, Na, DOPS, Na, DPPS, Na, DSPS, Na
Grade
R&D

Chemical Information

POPS-Na
CAS Number321863-21-2
PubChem CID46891789
IUPAC Namesodium (2S)-2-azaniumyl-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate
Molecular FormulaC40H75NNaO10P
Molecular Weight784.0
Topological Polar Surface Area179
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count40
Heavy Atom Count53
Formal Charge0
Complexity934
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
InChI
InChI=1S/C40H76NO10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/b18-17-;/t36-,37+;/m1./s1
InChIKey
RQYKXRYGZHMUSU-JEAFVVATSA-M
Chemical Structure
2D Structure
2D structure of POPS-Na
CAS: 321863-21-2
CID: 46891789
Formula: C40H75NNaO10P
MW: 784.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight784.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count40
Exact Mass783.50262887
Monoisotopic Mass783.50262887
Topological Polar Surface Area179 Ų
Heavy Atom Count53
Formal Charge0
Complexity934
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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