chempirical

Dimyristoylphosphatidylethanolamine

C33H66NO8PCAS 998-07-2635.86 g/mol

Open in Covalent MOL file
OOOPOOHOH2NOO
EsterPhosphatePrimary amine

Properties

Molecular formula
C33H66NO8P
Molar mass
635.86 g/mol
Exact mass
635.4526 Da
Melting point
174–175 °C
logP
8.94Crippen estimate
Polar surface area
134.4 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
33
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
998-07-2
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChIKey
NEZDNQCXEZDCBI-WJOKGBTCSA-N
InChI
InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1

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Names and synonyms

20 names · show all
  • Tetradecanoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester
  • 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine
  • L-α-Dimyristoylphosphatidylethanolamine
  • β,γ-Dimyristoyl-L-α-phosphatidylethanolamine
  • Dimyristoyl-L-α-phosphatidylethanolamine
  • (R)-Dimyristoylphosphatidylethanolamine
  • 1,2-Dimyristoyl-3-sn-phosphatidylethanolamine
  • 1,2-Dimyristoyl-sn-glycero-phosphoethanolamine
  • DMPE
  • 1,2-Dimyristoyl-sn-glycero-3-phosphatidylethanolamine
  • 1,2-Dimyristoylsn-glycero-3-phospholethanolamine
  • 1,2-Ditetradecanoyl-sn-glycero-3-phosphoethanolamine
  • 2-Azaniumylethyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate
  • Myristin, 1,2-di-, 2-aminoethyl hydrogen phosphate, L-
  • Tetradecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-
  • Phosphoric acid, mono(2-aminoethyl) ester, monoester with 1,2-dimyristin, L-
  • Dimyristoyl-sn-glycerol-3-phosphorylethanolamine
  • 1,2-Dimyristoyl-L-3-phosphatidylethanolamine
  • 1,2-Dimyristoyl-sn-glycero-3-phosphorylethanolamine
  • L-β,γ-Dimyristoyl-α-phosphatidylethanolamine

Work with Dimyristoylphosphatidylethanolamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Distearoyl-sn-glycero-3-phosphoethanolamine1069-79-0100 % similar Dipalmitoylphosphatidylethanolamine923-61-5100 % similar 1,2-Dioleoyl-sn-glycerophosphoethanolamine4004-05-190 % similar Dspe-peg 2000 amine474922-26-473 % similar Poly(oxy-1,2-ethanediyl), α-[6-hydroxy-6-oxido-1,12-dioxo-9-[(1-oxooctadecyl)oxy]-5,7,11-trioxa-2-aza-6-phosphanonacos-1-yl]-ω-methoxy-147867-65-064 % similar Poly(oxy-1,2-ethanediyl), α-[(9R)-6-hydroxy-6-oxido-1,12-dioxo-9-[(1-oxooctadecyl)oxy]-5,7,11-trioxa-2-aza-6-phosphanonacos-1-yl]-ω-(carboxymethoxy)-, ammonium salt (1:1)474922-20-861 % similar Axona538-23-860 % similar Trilaurin538-24-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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