CAS 19191-91-4 1,2-Dioctanoyl-sn-glycero-3-phosphocholine

What is the molecular formula of 1,2-Dioctanoyl-sn-glycero-3-phosphocholine?

The molecular formula is C24H48NO8P.

What is the CAS number of 1,2-Dioctanoyl-sn-glycero-3-phosphocholine?

The CAS number is 19191-91-4.

What is the Canonical SMILES of 1,2-Dioctanoyl-sn-glycero-3-phosphocholine?

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

How many hydrogen bond acceptors does 1,2-Dioctanoyl-sn-glycero-3-phosphocholine have?

It has 8 hydrogen bond acceptors.

What is the Computed Properties XLogP3 value for 1,2-Dioctanoyl-sn-glycero-3-phosphocholine?

The XLogP3 value is 4.8.

What is the molecular weight of 1,2-Dioctanoyl-sn-glycero-3-phosphocholine?

The molecular weight is 509.6 g/mol.

What are some Depositor-Supplied Synonyms for 1,2-Dioctanoyl-sn-glycero-3-phosphocholine?

Some synonyms include 1,2-Dioctanoyl PC, L-A-PHOSPHATIDYLCHOLINE, and Dioctanoyl-L-alpha-phosphatidylcholine.

What is the InChIKey of 1,2-Dioctanoyl-sn-glycero-3-phosphocholine?

The InChIKey is YHIXRNNWDBPKPW-JOCHJYFZSA-N.

What is the IUPAC Name of 1,2-Dioctanoyl-sn-glycero-3-phosphocholine?

The IUPAC Name is [(2R)-2,3-di(octanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many rotatable bonds does 1,2-Dioctanoyl-sn-glycero-3-phosphocholine have?

It has 24 rotatable bonds.

Catalog Number	ACM19191914-2
CAS	19191-91-4
Synonyms	Dicapryloyl-L-alpha-lecithin
IUPAC Name	[(2R)-2,3-Di(octanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	509.6
Molecular Formula	C24H48NO8P
Canonical SMILES	CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChI	InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/t22-/m1/s1
InChI Key	YHIXRNNWDBPKPW-JOCHJYFZSA-N
Purity	99%+
Complexity	586
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	509.31175449
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
Monoisotopic Mass	509.31175449
Physical State	Powder
Rotatable Bond Count	24
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Å²