1-Octadecanoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM19420576-2
CAS	19420-57-6
Structure
Synonyms	1-Stearoyl-L-alpha-lysolecithine
IUPAC Name	[(2R)-2-Hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	523.7
Molecular Formula	C26H54NO7P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
InChI Key	IHNKQIMGVNPMTC-RUZDIDTESA-N
Melting Point	100-200 °C
Purity	98%+
Complexity	546
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	523.3637901
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	523.3637901
Physical State	Powder
Rotatable Bond Count	26
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What are some of the Depositor-Supplied Synonyms for 1-Octadecanoyl-sn-glycero-3-phosphocholine?

Some of the Depositor-Supplied Synonyms for 1-Octadecanoyl-sn-glycero-3-phosphocholine include LPC(18:0/0:0), 1-Stearoyl-sn-glycero-3-phosphorylcholine, and LSPC.

What is the molecular formula of 1-Stearoyl-sn-glycero-3-phosphocholine?

The molecular formula of 1-Stearoyl-sn-glycero-3-phosphocholine is C26H54NO7P.

What is the molecular weight of 1-Octadecanoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1-Octadecanoyl-sn-glycero-3-phosphocholine is 523.7 g/mol.

What is the monoisotopic mass of 1-stearoyl-lysophosphatidylcholine?

The monoisotopic mass of 1-stearoyl-lysophosphatidylcholine is 523.36379006.

What is the IUPAC name of 1-stearoyl-glycero-3-phosphocholine?

The IUPAC name of 1-stearoyl-glycero-3-phosphocholine is [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many heavy atoms are present in 1-Octadecanoyl-sn-glycero-3-phosphocholine?

There are 35 heavy atoms present in 1-Octadecanoyl-sn-glycero-3-phosphocholine.

How many hydrogen bond acceptors are there in 1-Stearoyl-sn-glycero-3-phosphocholine?

There are 7 hydrogen bond acceptors in 1-Stearoyl-sn-glycero-3-phosphocholine.

What is the Canonical SMILES representation of 1-Octadecanoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES representation of 1-Octadecanoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

What is the InChIKey for 1-Stearoyl-2-Hydroxy-sn-Glycero-3-Phosphatidylcholine?

The InChIKey for 1-Stearoyl-2-Hydroxy-sn-Glycero-3-Phosphatidylcholine is IHNKQIMGVNPMTC-RUZDIDTESA-N.

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