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(Rac) -DSPG sodium

CAT: 0127-BUP20924-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20924-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124011-52-5
Synonyms
(Rac) -1,2-Distearoyl-sn-Glycero-3-Phosphatidylglycerol sodium
Purity
=98%
Smiles
O=C(CCCCCCCCCCCCCCCCC)OCC(COP([O-])(OCC(CO)O)=O)OC(CCCCCCCCCCCCCCCCC)=O.[Na+]

Chemical Information

Sodium;2,3-dihydroxypropyl 2,3-di(octadecanoyloxy)propyl phosphate
CAS Number124011-52-5
PubChem CID23667786
IUPAC Namesodium 2,3-dihydroxypropyl 2,3-di(octadecanoyloxy)propyl phosphate
Molecular FormulaC42H82NaO10P
Molecular Weight801.1
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count44
Heavy Atom Count54
Formal Charge0
Complexity865
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C42H83O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h39-40,43-44H,3-38H2,1-2H3,(H,47,48);/q;+1/p-1
InChIKey
YNQYZBDRJZVSJE-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium;2,3-dihydroxypropyl 2,3-di(octadecanoyloxy)propyl phosphate
CAS: 124011-52-5
CID: 23667786
Formula: C42H82NaO10P
MW: 801.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight801.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count44
Exact Mass800.55433009
Monoisotopic Mass800.55433009
Topological Polar Surface Area152 Ų
Heavy Atom Count54
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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