9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt

Catalog Number	ACM322647621
CAS	322647-62-1
Synonyms	1,2-Dilinoleoyl-sn-glycero-3-phosphate (sodium salt)
IUPAC Name	Sodium;[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] hydrogen phosphate
Molecular Weight	718.9
Molecular Formula	C39H68NaO8P
Canonical SMILES	CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]
InChI	InChI=1S/C39H69O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44);/q;+1/p-1/b13-11-,14-12-,19-17-,20-18-;/t37-;/m1./s1
InChI Key	UMYNPOZOTCNQKB-DKSSBCNHSA-M
Purity	99%+
Complexity	934
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	718.4549504
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass	718.4549504
Physical State	Powder
Rotatable Bond Count	36
Storage Conditions	-20 °C
Topological Polar Surface Area	122 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

The IUPAC name of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt is sodium;[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] hydrogen phosphate.

What is the molecular formula of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

The molecular formula of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt is C39H68NaO8P.

What is the exact mass of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

The exact mass of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt is 718.45495040.

How many heavy atoms are present in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

There are 49 heavy atoms present in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt.

How many rotatable bonds are there in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

There are 36 rotatable bonds in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt.

What is the canonical SMILES representation of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

The canonical SMILES representation of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt is CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+].

What is the CAS number of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

The CAS number of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt is 322647-62-1.

How many hydrogen bond acceptors are there in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

There are 8 hydrogen bond acceptors in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt.

What is the InChIKey of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

The InChIKey of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt is UMYNPOZOTCNQKB-DKSSBCNHSA-M.

What is the depositor-supplied synonym for 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt?

The depositor-supplied synonym for 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt is Sodium (2R)-2,3-bis{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl hydrogen phosphate.

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9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, monosodium salt (322647-62-1)

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