Vaccine Lab / Alfa Chemistry
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine

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1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine

Catalog Number ACM35418598-1
CAS 35418-59-8
Structure
Synonyms 18:0-20:4 PC
IUPAC Name [(2R)-2-[(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight 810.1
Molecular Formula C46H84NO8P
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
InChI InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,44H,6-13,15,17-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b16-14-,22-20-,27-25-,33-31-/t44-/m1/s1
InChI Key PSVRFUPOQYJOOZ-QNPWAGBNSA-N
Purity 99%+
Complexity 1090
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 1
Exact Mass 809.59345564
Heavy Atom Count 56
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
Isomeric SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Monoisotopic Mass 809.59345564
Physical State Liquid
Rotatable Bond Count 42
Storage Conditions -20 °C
Topological Polar Surface Area 111 Ų
Knowledge & Learning Case Study Q&A

What is the CAS number of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

The CAS number is 35418-59-8.

What is the molecular formula of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

The molecular formula is C46H84NO8P.

What is the molecular weight of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

The molecular weight is 810.1 g/mol.

What is the computed properties complexity of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

The computed properties complexity is 1090.

How many hydrogen bond acceptors does 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine have?

It has 8 hydrogen bond acceptors.

How many heavy atoms are present in the molecule of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

There are 56 heavy atoms.

What is the Canonical SMILES representation of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.

What is the Exact Mass of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

The Exact Mass is 809.59345564.

How many rotatable bonds are present in the structure of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

There are 42 rotatable bonds.

What is the IUPAC Name of 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine?

The IUPAC Name is [(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

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