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

Catalog Number	ACM59491622-1
CAS	59491-62-2
Structure
Synonyms	1-[Cis-9-octadecenoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine
IUPAC Name	[(2R)-2-Hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	760.1
Molecular Formula	C42H82NO8P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChI Key	RRVPPYNAZJRZFR-VYOBOKEXSA-N
Purity	99%+
Complexity	899
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	759.57780557
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Monoisotopic Mass	759.57780557
Physical State	Powder
Rotatable Bond Count	41
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

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

The molecular weight is 760.1g/mol.

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

There are 52 heavy atoms.

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

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

How many Hydrogen Bond Acceptor Count does 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine have?

It has 8 Hydrogen Bond Acceptor Count.

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

The InChIKey is RRVPPYNAZJRZFR-VYOBOKEXSA-N.

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

Some synonyms include OPC, PD094332, CHEBI:74667, and Phosphatidylcholine(18:1/16:0).

How many Computed Properties Rotatable Bond Count are there in 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

There are 41 Rotatable Bond Count properties.

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 is the topological polar surface area of 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

The topological polar surface area is 111.

What are some of the MeSH Entry Terms associated with 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine?

MeSH Entry Terms include 1-oleoyl-2-palmitoyl lecithin, ETC-588, and 1-oleoyl-2-palmitoylphosphatidylcholine.

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1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (59491-62-2)

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