Vaccine Lab / Alfa Chemistry
1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine

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1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine

Catalog Number ACM19420565-1
CAS 19420-56-5
Structure
Synonyms 1-Oleoyl-sn-glycero-3-phosphocholine
IUPAC Name [(2R)-2-Hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight 521.7
Molecular Formula C26H52NO7P
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
InChI Key YAMUFBLWGFFICM-PTGWMXDISA-N
Purity 99%+
Complexity 585
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 1
Exact Mass 521.34814
Heavy Atom Count 35
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
Isomeric SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass 521.34814
Physical State Powder
Rotatable Bond Count 25
Storage Conditions -20 °C
Topological Polar Surface Area 105 Ų
Knowledge & Learning Case Study Q&A

What is the IUPAC name of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

The IUPAC name of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine is [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the molecular formula of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

The molecular formula of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine is C26H52NO7P.

What is the molecular weight of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

The molecular weight of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine is 521.7g/mol.

What is the monoisotopic mass of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

The monoisotopic mass of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine is 521.34814000.

How many heavy atoms are present in 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

There are 35 heavy atoms present in 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine.

What is the Canonical SMILES representation of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

The Canonical SMILES representation of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine is CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

How many rotatable bond counts are there in 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

There are 25 rotatable bond counts in 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine.

What is the CAS number of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

The CAS number of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine is 19420-56-5.

What is another name for 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine in the Depositor-Supplied Synonyms section?

Another name for 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine in the Depositor-Supplied Synonyms section is LPC 18:1.

What is the InChIKey of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine?

The InChIKey of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine is YAMUFBLWGFFICM-PTGWMXDISA-N.

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