1-Octadecanoyl-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM97281408
CAS	97281-40-8
Structure
Synonyms	Lysophosphatidylethanolamines, egg
IUPAC Name	[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] octadecanoate
Molecular Weight	481.6
Molecular Formula	C23H48NO7P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
InChI	InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1
InChI Key	BBYWOYAFBUOUFP-JOCHJYFZSA-N
Purity	99%+
Complexity	479
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	481.31683987
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
Monoisotopic Mass	481.31683987
Physical State	Powder
Rotatable Bond Count	25
Storage Conditions	-20 °C
Topological Polar Surface Area	128 Ų

Knowledge & Learning Case Study Q&A

What is the chemical structure of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

The chemical structure of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine is C23H48NO7P.

What is the Canonical SMILES representation of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

The Canonical SMILES representation of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O.

What is the molecular weight of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

The molecular weight of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine is 481.6g/mol.

How many hydrogen bond acceptors does 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine have?

1-Octadecanoyl-sn-glycero-3-phosphoethanolamine has 7 hydrogen bond acceptors.

What is the IUPAC name of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

The IUPAC name of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine is 2-azaniumylethyl [(2R)-2-hydroxy-3-octadecanoyloxypropyl] phosphate.

What is the CAS number of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

The CAS number of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine is 69747-55-3.

How many heavy atoms are present in the molecular structure of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

There are 32 heavy atoms in the molecular structure of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine.

What is the XLogP3 value of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

The XLogP3 value of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine is 5.6.

What is the InChIKey of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

The InChIKey of 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine is BBYWOYAFBUOUFP-JOCHJYFZSA-N.

What are some synonyms for 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine?

Some synonyms for 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine include 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine, 18:0 Lyso PE, and 1-stearoylglycerophosphoethanolamine.

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1-Octadecanoyl-sn-glycero-3-phosphoethanolamine (97281-40-8)

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