1-Eicosanoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM108341806
CAS	108341-80-6
Synonyms	20:0 LYSO PC
IUPAC Name	[(2R)-2-Hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	551.7
Molecular Formula	C28H58NO7P
Canonical SMILES	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/t27-/m1/s1
InChI Key	UATOAILWGVYRQS-HHHXNRCGSA-N
Purity	99%+
Complexity	575
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	551.39509019
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	551.39509019
Physical State	Powder
Rotatable Bond Count	28
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of 1-Eicosanoyl-sn-glycero-3-phosphocholine?

The CAS number of 1-Eicosanoyl-sn-glycero-3-phosphocholine is 108341-80-6.

What is the Canonical SMILES representation of 1-Eicosanoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES representation of 1-Eicosanoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

How many hydrogen bond acceptors does 1-Eicosanoyl-sn-glycero-3-phosphocholine have?

1-Eicosanoyl-sn-glycero-3-phosphocholine has 7 hydrogen bond acceptors.

What is the XLogP3 value of 1-Eicosanoyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1-Eicosanoyl-sn-glycero-3-phosphocholine is 7.7.

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

The molecular formula of 1-Eicosanoyl-sn-glycero-3-phosphocholine is C28H58NO7P.

What is the Monoisotopic Mass of 1-Eicosanoyl-sn-glycero-3-phosphocholine?

The Monoisotopic Mass of 1-Eicosanoyl-sn-glycero-3-phosphocholine is 551.39509019.

Give an alternative name for 1-Eicosanoyl-sn-glycero-3-phosphocholine.

An alternative name for 1-Eicosanoyl-sn-glycero-3-phosphocholine is 1-arachidoyl-sn-glycero-3-phosphocholine.

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

The InChIKey of 1-Eicosanoyl-sn-glycero-3-phosphocholine is UATOAILWGVYRQS-HHHXNRCGSA-N.

How many heavy atoms does 1-Eicosanoyl-sn-glycero-3-phosphocholine have?

1-Eicosanoyl-sn-glycero-3-phosphocholine has 37 heavy atoms.

What is the IUPAC Name of 1-Eicosanoyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1-Eicosanoyl-sn-glycero-3-phosphocholine is [(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

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