Vaccine Lab / Alfa Chemistry
1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine

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1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine

Catalog Number ACM4004051-2
CAS 4004-05-1
Structure
Synonyms DOPE
IUPAC Name [(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Molecular Weight 744
Molecular Formula C41H78NO8P
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
InChI InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)
InChI Key MWRBNPKJOOWZPW-UHFFFAOYSA-N
Melting Point 200 °C
Purity 98%
Complexity 897
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Exact Mass 743.54650544
Heavy Atom Count 51
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 2
Monoisotopic Mass 743.54650544
Physical State Lyophilized powder
Rotatable Bond Count 41
Storage Conditions -20 °C
Topological Polar Surface Area 134 Ų
Knowledge & Learning Q&A

What is the molecular formula of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

The molecular formula of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine is C44H84NO8P.

What is the exact mass of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

The exact mass of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine is 785.59345564.

What is the Canonical SMILES representation of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

The Canonical SMILES representation of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine is CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.

How many heavy atoms are present in 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

There are 54 heavy atoms present in 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine.

What is the computed topological polar surface area of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

The computed topological polar surface area of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine is 111.

What is the IUPAC name of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

The IUPAC name of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine is [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate.

What are some of the synonyms for 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

Some synonyms for 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine include DOPC, PC(18:1(9Z)/18:1(9Z)), and Dioleoyl phosphatidylcholine.

How many rotatable bonds are present in 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

There are 42 rotatable bonds present in 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine.

What is the CAS number of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

The CAS number of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine is 4235-95-4.

What is the IUPAC key of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine?

The IUPAC key of 1,2-Dioleoyl-sn-Glycero-3-Phosphocholine is SNKAWJBJQDLSFF-NVKMUCNASA-N.

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