Cardiolipin solution

CAT: 0926-FC183337-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FC183337-02Size:50 mg

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CAS Number

383907-10-6

Synonyms

Cardiolipin sodium from bovine heart; Cardiolipin solution in ethanol

MDL Number

MFCD00071040

Molecular Formula

C81H140Na2O17P2

Molecular Weight

1,493.89 g/mol

Controlled

Chemical Information

Disodium bis((2R)-2,3-bis(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)propyl) 2-hydroxypropane-1,3-diyl bis(phosphate)

CAS Number	383907-10-6
PubChem CID	46891777
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 Formula	C81H140Na2O17P2
Molecular Weight	1493.9
Topological Polar Surface Area	243
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	78
Heavy Atom Count	102
Formal Charge	0
Complexity	2100

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+]

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

InChIKey

ZGSPNIOCEDOHGS-LBOJVHLDSA-L

Chemical Structure

2D Structure

CAS: 383907-10-6

CID: 46891777

Formula: C81H140Na2O17P2

MW: 1493.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1493.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	78
Exact Mass	1492.93611555
Monoisotopic Mass	1492.93611555
Topological Polar Surface Area	243 Å²
Heavy Atom Count	102
Formal Charge	0
Complexity	2100
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	8
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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