1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM69747553-1
CAS	69747-55-3
Synonyms	18:0 LYSO PE
IUPAC Name	2-Azaniumylethyl [(2R)-2-hydroxy-3-octadecanoyloxypropyl] phosphate
Molecular Weight	481.6
Molecular Formula	C23H48NO7P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])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	471
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	481.31683987
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])O
Monoisotopic Mass	481.31683987
Physical State	Powder
Rotatable Bond Count	25
Storage Conditions	-20 °C
Topological Polar Surface Area	133 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

The CAS number is 69747-55-3.

What is the molecular formula of 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

The molecular formula is C23H48NO7P.

What is the molecular weight of 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

The molecular weight is 481.6 g/mol.

What is the exact mass of 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

The exact mass is 481.31683987.

How many heavy atoms are present in 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

There are 32 heavy atoms.

How many rotatable bonds are there in 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

There are 25 rotatable bonds.

How many hydrogen bond acceptors are in 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

There are 7 hydrogen bond acceptors.

What is the Canonical SMILES representation of 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

The Canonical SMILES is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O.

What is the InChIKey for 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

The InChIKey is BBYWOYAFBUOUFP-JOCHJYFZSA-N.

What are some of the depositor-supplied synonyms for 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine?

Some synonyms include 18:0 Lyso PE, CHEBI:75036, and 1-stearoylglycerophosphoethanolamine.

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