9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt

Catalog Number	ACM322647483
CAS	322647-48-3
Synonyms	1-Stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)
IUPAC Name	Sodium;2,3-dihydroxypropyl [(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate
Molecular Weight	799
Molecular Formula	C42H80NaO10P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]
InChI	InChI=1S/C42H81O10P.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;/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48);/q;+1/p-1/b20-18-;/t39,40-;/m1./s1
InChI Key	AZUBILBUHSANJX-VDVGXYCESA-M
Purity	99%+
Complexity	906
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	798.53868002
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
Monoisotopic Mass	798.53868002
Physical State	Powder
Rotatable Bond Count	43
Storage Conditions	-20 °C
Topological Polar Surface Area	152 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The IUPAC name of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is sodium;2,3-dihydroxypropyl [(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate.

What is the molecular formula of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The molecular formula of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is C42H80NaO10P.

What is the CAS number for 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The CAS number for 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is 322647-48-3.

What is the molecular weight of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The molecular weight of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is 799.0g/mol.

How many heavy atoms are present in 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

There are 54 heavy atoms present in 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt.

How many rotatable bonds are present in 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

There are 43 rotatable bonds present in 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt.

What is the topological polar surface area of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The topological polar surface area of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is 152.

How many hydrogen bond acceptor counts does 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt have?

9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt has 10 hydrogen bond acceptor counts.

What is the complexity of the computed properties of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The complexity of the computed properties is 906.

What is the InChIKey of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The InChIKey of 9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is AZUBILBUHSANJX-VDVGXYCESA-M.

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9-Octadecenoic acid (9Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt (322647-48-3)

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