1,1',2,2'-Tetrapalmitoyl cardiolipin(disodium salt)

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Catalog Number
ACM64043421
Product Name
1,1',2,2'-Tetrapalmitoyl cardiolipin(disodium salt)
Structure
Structure
CAS
64043-42-1
Category
Heterocyclic Organic Compound
Synonyms
Cardiolipin
IUPAC Name
Disodium;[3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
Molecular Weight
1397.8
Molecular Formula
C73H140Na2O17P2
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]
InChI
InChI=1S/C73H142O17P2.2Na/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;/h67-69,74H,5-66H2,1-4H3,(H,79,80)(H,81,82);/q;2*+1/p-2/t68-,69-;/m1./s1
InChI Key
SGZOKSKKFJWPDO-JSGFYJEGSA-L
Complexity
1620
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
2
Exact Mass
1396.93611555
H-Bond Acceptor
17
H-Bond Donor
1
Heavy Atom Count
94
Hydrogen Bond Acceptor Count
17
Hydrogen Bond Donor Count
1
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]
Monoisotopic Mass
1396.93611555
Physical State
Powder
Rotatable Bond Count
78
Storage Conditions
-20 °C
Topological Polar Surface Area
243 Ų
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