Vaccine Lab / Alfa Chemistry
1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine

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1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine

Catalog Number ACM144371686
CAS 144371-68-6
Synonyms C18(Plasm)-18:1 PE
IUPAC Name [(2R)-1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] (Z)-octadec-9-enoate
Molecular Weight 730
Molecular Formula C41H80NO7P
Canonical SMILES CCCCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
InChI InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,36,40H,3-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b20-18-,36-33-/t40-/m1/s1
InChI Key XVYPOHCSLJZFED-QZEVRULJSA-N
Purity 99+%
Complexity 823
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 1
Exact Mass 729.56724089
Heavy Atom Count 50
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
Isomeric SMILES CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
Monoisotopic Mass 729.56724089
Physical State Liquid
Rotatable Bond Count 41
Storage Conditions -20 °C
Topological Polar Surface Area 117 Ų
Knowledge & Learning Case Study Q&A

What is the IUPAC name of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The IUPAC name of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine is [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] (Z)-octadec-9-enoate.

What is the molecular formula of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The molecular formula of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine is C41H80NO7P.

What is the exact mass of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The exact mass of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine is 729.56724089.

What is the monoistopic mass of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The monoistopic mass of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine is 729.56724089.

How many hydrogen bond acceptors does the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine have?

The 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine has 8 hydrogen bond acceptors.

What is the Canonical SMILES of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The Canonical SMILES of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine is CCCCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC.

What is the InChIKey of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The InChIKey of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine is XVYPOHCSLJZFED-QZEVRULJSA-N.

How many heavy atoms does the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine contain?

The 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine contains 50 heavy atoms.

What is the CAS number of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The CAS number of the 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine is 144371-68-6.

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