2-Palmitoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM66757275
CAS	66757-27-5
Structure
Synonyms	(7R)-4-Hydroxy-7-(hydroxyMethyl)-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphatetracosan-1-aminium 4-oxide
IUPAC Name	(2R)-2-(Hexadecanoyloxy)-3-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	495.6
Molecular Formula	C24H50NO7P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1
InChI Key	NEGQHKSYEYVFTD-HSZRJFAPSA-N
Purity	99%+
Complexity	517
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	495.33248993
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
Monoisotopic Mass	495.33248993
Physical State	Powder
Rotatable Bond Count	24
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

The molecular formula is C42H82NO8P.

What is the molecular weight of 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

The molecular weight is 760.1g/mol.

What is the exact mass of 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

The exact mass is 759.57780557.

How many heavy atoms are in the chemical structure of 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

There are 52 heavy atoms.

How many rotatable bonds are present in 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

There are 41 rotatable bonds.

What is the Canonical SMILES representation of 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES is CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C.

What is the InChIKey of 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

The InChIKey is RRVPPYNAZJRZFR-VYOBOKEXSA-N.

How many hydrogen bond acceptors are in 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

There are 8 hydrogen bond acceptors.

What is the IUPAC Name of 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

The IUPAC Name is [(2R)-2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What are some of the synonyms for 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

Some synonyms include OPPC, PC(18:1(9Z)/16:0), and L-alpha-1-Oleoyl-2-palmitoyl phosphatidylcholine.

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2-Palmitoyl-sn-glycero-3-phosphocholine (66757-27-5)

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