1-Palmitoyl-sn-glycero-3-phosphoethanolamine

• Catalog Number: ACM53862354
• Product Name: 1-Palmitoyl-sn-glycero-3-phosphoethanolamine
• CAS: 53862-35-4
• Category: Heterocyclic Organic Compound
• 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
• 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

Custom 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.