Vaccine Lab / Alfa Chemistry
1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine

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1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine

Catalog Number ACM59403519-1
CAS 59403-51-9
Structure
Synonyms 16:0-18:0 PC
IUPAC Name [(2R)-3-Hexadecanoyloxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight 762.1
Molecular Formula C42H84NO8P
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChI Key PZNPLUBHRSSFHT-RRHRGVEJSA-N
Purity 99%+
Complexity 857
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 1
Exact Mass 761.59345564
Heavy Atom Count 52
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
Isomeric SMILES CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Monoisotopic Mass 761.59345564
Physical State Powder
Rotatable Bond Count 42
Storage Conditions -20 °C
Topological Polar Surface Area 111 Ų
Knowledge & Learning Case Study Q&A

What is the IUPAC Name of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine is [(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the Monoisotopic Mass of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine?

The Monoisotopic Mass of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine is 761.59345564.

What is the CAS number of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine?

The CAS number of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine is 59403-51-9.

What is the Canonical SMILES representation of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C.

How many heavy atoms are present in 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine?

There are 52 heavy atoms present in 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine.

What is the XLogP3 value of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine is 14.5.

What are some synonyms of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine?

Some synonyms of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine are 1-PALMITOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PC(16:0/18:0), GPCho(34:0), and more.

What is the Exact Mass of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine?

The Exact Mass of 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine is 761.59345564.

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