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

Catalog Number	ACM383907106
CAS	383907-10-6
Structure
Synonyms	Heart CA
IUPAC Name	Disodium;[3-[[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propoxy]-oxidophosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] phosphate
Molecular Weight	1493.9
Molecular Formula	C81H140Na2O17P2
Canonical SMILES	CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+].[Na+]
InChI	InChI=1S/C81H142O17P2.2Na/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;/h21-28,33-40,75-77,82H,5-20,29-32,41-74H2,1-4H3,(H,87,88)(H,89,90);/q;2*+1/p-2/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-;/t76-,77-;/m1./s1
InChI Key	ZGSPNIOCEDOHGS-LBOJVHLDSA-L
Purity	99%+
Complexity	2100
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Exact Mass	1492.93611555
Heavy Atom Count	102
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[O-])[O-].[Na+].[Na+]
Monoisotopic Mass	1492.93611555
Physical State	Liquid
Rotatable Bond Count	78
Storage Conditions	-20 °C
Topological Polar Surface Area	243 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC Name of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

The IUPAC Name of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt) is 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt).

What is the molecular formula of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

The molecular formula of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt) is C81H140Na2O17P2.

What is the exact mass of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

The exact mass of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt) is 1492.93611555.

How many heavy atoms are present in the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

There are 102 heavy atoms present in the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt).

How many hydrogen bond acceptors are there in the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

There are 17 hydrogen bond acceptors in the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt).

How many rotatable bonds are in the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

There are 78 rotatable bonds in the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt).

What is the CAS number of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

The CAS number of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt) is 383907-10-6.

What is the canonical SMILES representation of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

The canonical SMILES representation of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt) is CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+].[Na+].

What is the InChIKey of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt)?

The InChIKey of the 1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt) is ZGSPNIOCEDOHGS-LBOJVHLDSA-L.

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1,1',2,2'-Tetralinoleoyl cardiolipin(disodium salt) (383907-10-6)

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