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

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

Catalog Number ACM20664022
CAS 20664-02-2
Synonyms 1S-2M-PC
IUPAC Name [(2R)-3-Octadecanoyloxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight 734
Molecular Formula C40H80NO8P
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChI InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
InChI Key MZWGYEJOZNRLQE-KXQOOQHDSA-N
Purity 98%+
Complexity 826
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 1
Exact Mass 733.56215551
Heavy Atom Count 50
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)CCCCCCCCCCCCC
Monoisotopic Mass 733.56215551
Physical State Solid
Rotatable Bond Count 40
Storage Conditions -20 °C
Topological Polar Surface Area 111 Ų
Knowledge & Learning Case Study Q&A

How many stearoyl chains and myristoyl chains are present in the molecule of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine?

There is 1 stearoyl chain and 1 myristoyl chain present in the molecule of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine.

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

The CAS number of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine is 20664-02-2.

How many heavy atoms are present in the molecular formula of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine?

There are 50 heavy atoms present in the molecular formula of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine.

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

The molecular weight of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine is 734.0g/mol.

How many hydrogen bond acceptor atoms are present in the computed properties of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine?

There are 8 hydrogen bond acceptor atoms present in the computed properties of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine.

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

The IUPAC Name of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine is [(2R)-3-octadecanoyloxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many rotatable bonds are there in 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine?

There are 40 rotatable bonds present in 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine.

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

The computed properties complexity of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine is 826.

What is the InChIKey of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine?

The InChIKey of 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine is MZWGYEJOZNRLQE-KXQOOQHDSA-N.

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