CAS 26853-31-6 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine

What is the CAS number of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The CAS number of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine is 26853-31-6.

What is the Canonical SMILES of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.

How many hydrogen bond acceptors does 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine have?

1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine has 8 hydrogen bond acceptors.

What is the XLogP3 value of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine is 13.6.

What is the molecular weight of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine is 760.1g/mol.

Can you provide a MeSH Entry Term for 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

One of the MeSH Entry Terms for 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine is 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine.

What is the InChIKey of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The InChIKey of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine is WTJKGGKOPKCXLL-VYOBOKEXSA-N.

How many heavy atoms does 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine contain?

1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine contains 52 heavy atoms.

Can you provide the IUPAC Name of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine is [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the computed properties complexity of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The computed properties complexity of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine is 899.

Catalog Number	ACM26853316-2
CAS	26853-31-6
Structure
Synonyms	POPC
IUPAC Name	[(2R)-3-Hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	760.1
Molecular Formula	C42H82NO8P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
InChI	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChI Key	WTJKGGKOPKCXLL-VYOBOKEXSA-N
Purity	98%+
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)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
Monoisotopic Mass	759.57780557
Physical State	Powder
Rotatable Bond Count	41
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Å²