1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM95896563
CAS	95896-56-3
Synonyms	18:1-14:0 PC
IUPAC Name	[(2R)-3-[(Z)-Octadec-9-enoyl]oxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	732
Molecular Formula	C40H78NO8P
Canonical SMILES	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h19-20,38H,6-18,21-37H2,1-5H3/b20-19-/t38-/m1/s1
InChI Key	KIVAJCJTVPWSRJ-OQHNRNOKSA-N
Purity	99%+
Complexity	868
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	731.54650544
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Monoisotopic Mass	731.54650544
Physical State	Powder
Rotatable Bond Count	39
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine?

The IUPAC name is [(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

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

The molecular formula is C40H78NO8P.

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

The molecular weight is 732.0g/mol.

How many hydrogen bond acceptor counts does 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine have?

1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine has 8 hydrogen bond acceptor counts.

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

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

What is the Monoisotopic Mass of 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine?

The Monoisotopic Mass is 731.54650544.

What is the CAS number of 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine?

The CAS number is 95896-56-3.

What is the XLogP3 value of 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine?

The XLogP3 value is 12.5.

What are some Depositor-Supplied Synonyms for 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine?

Some Depositor-Supplied Synonyms are PC(18:1(9Z)/14:0), Phosphatidylcholine(18:1/14:0), and GPCho(18:1n9/14:0).

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