Products for Research Use Only

POPS

CAT: 0013-GTR19243447-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243447-01Size:100 mg
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Description
POPS is a useful organic compound for research related to life sciences. The catalog number is TF0061 and the CAS number is 321863-21-2.
CAS Number
321863-21-2
Purity
>98% (HPLC)
Smiles
OC ([C@@H] (N) COP (OC[C@@H] (COC (CCCCCCCCCCCCCCC) =O) OC (CCCCCCC/C=C\CCCCCCCC) =O) ([O-]) =O) =O.[Na+]
Molecular Formula
C40H75NO10PNa
Molecular Weight
784
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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...
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