1-Palmitoyl-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM53862354
CAS	53862-35-4
Structure
Synonyms	16:0 LYSO PE
IUPAC Name	2-Azaniumylethyl [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] phosphate
Molecular Weight	453.5
Molecular Formula	C21H44NO7P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O
InChI	InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1
InChI Key	YVYMBNSKXOXSKW-HXUWFJFHSA-N
Purity	99%+
Complexity	443
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	453.28553974
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])O
Monoisotopic Mass	453.28553974
Physical State	Powder
Rotatable Bond Count	23
Storage Conditions	-20 °C
Topological Polar Surface Area	133 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for 1-Palmitoyl-sn-glycero-3-phosphoethanolamine?

The CAS number for 1-Palmitoyl-sn-glycero-3-phosphoethanolamine is 53862-35-4.

What is the molecular formula of 1-Palmitoyl-sn-glycero-3-phosphoethanolamine?

The molecular formula of 1-Palmitoyl-sn-glycero-3-phosphoethanolamine is C21H44NO7P.

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

The molecular weight of 1-Palmitoyl-sn-glycero-3-phosphoethanolamine is 453.5g/mol.

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

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

What is the exact mass of 1-Palmitoyl-sn-glycero-3-phosphoethanolamine?

The exact mass of 1-Palmitoyl-sn-glycero-3-phosphoethanolamine is 453.28553974.

What is the InChIKey for 1-Palmitoyl-sn-glycero-3-phosphoethanolamine?

The InChIKey for 1-Palmitoyl-sn-glycero-3-phosphoethanolamine is YVYMBNSKXOXSKW-HXUWFJFHSA-N.

How many rotatable bond counts does 1-Palmitoyl-sn-glycero-3-phosphoethanolamine have?

1-Palmitoyl-sn-glycero-3-phosphoethanolamine has 23 rotatable bond counts.

What are some of the synonyms for 1-Palmitoyl-sn-glycero-3-phosphoethanolamine?

Some synonyms for 1-Palmitoyl-sn-glycero-3-phosphoethanolamine include BP-29606, PD088583, and 1-palmitoyl-GPE, among others.

How many heavy atoms are present in 1-Palmitoyl-sn-glycero-3-phosphoethanolamine?

1-Palmitoyl-sn-glycero-3-phosphoethanolamine has 30 heavy atoms.

What is the computed XLogP3 value for 1-Palmitoyl-sn-glycero-3-phosphoethanolamine?

The computed XLogP3 value for 1-Palmitoyl-sn-glycero-3-phosphoethanolamine is 4.6.

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