1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)

• Catalog Number: ACM321883232
• Product Name: 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)
• CAS: 321883-23-2
• Category: Heterocyclic Organic Compound
• Synonyms: 18:0-18:1 PS
• IUPAC Name: Sodium;[(2S)-2-amino-2-carboxyethyl] [(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate
• Molecular Weight: 812
• Molecular Formula: C42H79NNaO10P
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]
• InChI: InChI=1S/C42H80NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h18,20,38-39H,3-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49);/q;+1/p-1/b20-18-;/t38-,39+;/m1./s1
• InChI Key: ALPKKMIPHGSQRX-NJZWBUMZSA-M
• Complexity: 986
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 2
• Exact Mass: 811.533929
• Heavy Atom Count: 55
• Hydrogen Bond Acceptor Count: 11
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
• Monoisotopic Mass: 811.533929
• Physical State: Liquid
• Rotatable Bond Count: 43
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 175 Ų

Custom Q&A

What is the exact mass of 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

The exact mass is 811.53392900.

What is the IUPAC name of 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

The IUPAC name is sodium;[(2S)-2-amino-2-carboxyethyl] [(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate.

How many heavy atoms are present in 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

There are 55 heavy atoms.

What is the molecular formula of 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

The molecular formula is C42H79NNaO10P.

What is the canonical SMILES representation of 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]

How many rotatable bonds are present in 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

There are 43 rotatable bonds.

What is the InChIKey of 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

The InChIKey is ALPKKMIPHGSQRX-NJZWBUMZSA-M.

What is the molecular weight of 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

The molecular weight is 812.0g/mol.

What are some of the synonyms for 1-Stearoyl-2-oleoyl-SN-glycero-3-[phospho-L-serine](sodium salt)?

Some synonyms include 18:0,18:1 PS (sodium), HY-148978, and CS-0649990.