CAS 27869-41-6 1-Undecanoyl-sn-glycero-3-phosphocholine

What is the molecular formula of 1-Undecanoyl-sn-glycero-3-phosphocholine?

The molecular formula is C19H40NO7P.

What is the exact mass of 1-Undecanoyl-sn-glycero-3-phosphocholine?

The exact mass is 425.25423961 g/mol.

How many heavy atoms are present in the molecule?

There are 28 heavy atoms in the molecule.

How many rotatable bonds are present in 1-Undecanoyl-sn-glycero-3-phosphocholine?

There are 19 rotatable bonds.

What is the Canonical SMILES notation for 1-Undecanoyl-sn-glycero-3-phosphocholine?

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

How many hydrogen bond acceptors are present in the molecule?

There are 7 hydrogen bond acceptors.

What is the Canonical IUPAC name of 1-Undecanoyl-sn-glycero-3-phosphocholine?

The IUPAC name is [(2R)-2-hydroxy-3-undecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the InChIKey of 1-Undecanoyl-sn-glycero-3-phosphocholine?

The InChIKey is OZRAIUXQMKVTIQ-GOSISDBHSA-N.

Can 1-Undecanoyl-sn-glycero-3-phosphocholine be referred to by any other names?

Yes, it has various synonyms including PC(11:0/0:0), lysoPC 11:0, and CHEMBL467727.

Catalog Number	ACM27869416
CAS	27869-41-6
Synonyms	11:0 LYSO PC
IUPAC Name	[(2R)-2-Hydroxy-3-undecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	425.5
Molecular Formula	C19H40NO7P
Canonical SMILES	CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C19H40NO7P/c1-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20(2,3)4/h18,21H,5-17H2,1-4H3/t18-/m1/s1
InChI Key	OZRAIUXQMKVTIQ-GOSISDBHSA-N
Purity	99%+
Complexity	446
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	425.25423961
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	425.25423961
Physical State	Liquid
Rotatable Bond Count	19
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Å²