1-Stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)

Catalog Number	ACM1246298167
CAS	1246298-16-7
Synonyms	18:0 LYSO PS
IUPAC Name	Disodium;(2S)-2-amino-3-[[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxypropanoate
Molecular Weight	569.6
Molecular Formula	C24H46NNa2O9P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])N)O.[Na+].[Na+]
InChI	InChI=1S/C24H48NO9P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29;/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31);/q;2*+1/p-2/t21-,22+;/m1./s1
InChI Key	WOPQBWVVTXNCFU-ZZYOSWMOSA-L
Purity	99%
Complexity	578
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	569.27055761
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])N)O.[Na+].[Na+]
Monoisotopic Mass	569.27055761
Physical State	Powder
Rotatable Bond Count	25
Storage Conditions	-20 °C
Topological Polar Surface Area	171 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)?

The molecular formula is C24H47NNaO9P.

What is the molecular weight of 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)?

The molecular weight is 547.6g/mol.

What is the Canonical SMILES of 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)?

The Canonical SMILES is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])O.[Na+].

How many hydrogen bond acceptors does 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt) have?

It has 9 hydrogen bond acceptors.

What is the IUPAC Name of 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)?

The IUPAC Name is sodium;(2S)-2-azaniumyl-3-[[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxypropanoate.

What is the Computed Properties Heavy Atom Count of 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)?

The Heavy Atom Count is 36.

What is the InChIKey of 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)?

The InChIKey is SVSJEWKLQKWQOV-NSLUPJTDSA-M.

How many rotatable bonds does 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt) have?

It has 25 rotatable bonds.

What are some of the Depositor-Supplied Synonyms of 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)?

Some synonyms include 18:0 Lyso PS and Brain Lyso PS.

What is the exact mass of 1-stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt)?

The exact mass is 547.28861336.

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1-Stearoyl-2-hydroxy-sn-glycero-3-phospho-L-serine (sodium salt) (1246298-16-7)

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