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Molecule

1,2-Dimyristoyl-Sn-Glycero-3-Phosphocholine

CAS: 18194-24-6 · C36H72NO8P

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
18194-24-6
Molecular Formula
C36H72NO8P
Molecular Mass
677.95 g/mol

Identifiers

CAS Registry Number

18194-24-6

SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

InChI Key

CITHEXJVPOWHKC-UUWRZZSWSA-N

InChI

InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1

Names and Synonyms

  • 1,2-Dimyristoyl-Sn-Glycero-3-Phosphocholine Synonym
  • 3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (7R)- Synonym
  • Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-dimyristin, L- Synonym
  • 3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)- Synonym
  • Choline, phosphate, ester with L-1,2-dimyristin Synonym
  • Dimyristoyl-L-α-lecithin Synonym
  • L-Dimyristoylphosphatidylcholine Synonym
  • 1,2-Ditetradecanoyl-sn-glycero-3-phosphorylcholine Synonym
  • L-Dimyristoyllecithin Synonym
  • L-α-Dimyristoylphosphatidylcholine Synonym
  • 1,2-Dimyristoyl-sn-glycero-3-phosphorylcholine Synonym
  • 1,2-Dimyristoyl-L-3-phosphatidylcholine Synonym
  • 1,2-Dimyristoyl-sn-glycerol-3-phosphocholine Synonym
  • 1,2-L-α-Dimyristoylphosphatidylcholine Synonym
  • β,γ-Dimyristoyl L-α-phosphatidylcholine Synonym
  • 1,2-Dimyristoyl-sn-glycerophosphocholine Synonym
  • Ditetradecanoyllecithin Synonym
  • sn-3-Dimyristoyllecithin Synonym
  • 1,2-Dimyristoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Dimyristoyl-3-sn-phosphatidylcholine Synonym
  • 1,2-Dimyristoyl-L-phosphatidylcholine Synonym
  • 1,2-Dimyristoyl-sn-glycerol-3-phosphorylcholine Synonym
  • Dimyristoyl-3-sn-phosphatidylcholine Synonym
  • L-β,γ-Dimyristoyl-α-lecithin Synonym
  • L-α-Dimyristoyllecithin Synonym
  • Dimyristoyl-L-α-phosphatidylcholine Synonym
  • 1,2-Dimyristoyl-sn-3-glycerophosphocholine Synonym
  • Dimyristoyl-L-α-glycerophosphocholine Synonym
  • Dimyristoylphosphatidylcholine Synonym
  • 1,2-Dimyristoyl-L-α-phosphatidylcholine Synonym
  • L-1,2-Dimyristoylphosphatidylcholine Synonym
  • L-β,γ-Dimyristoyl-α-phosphatidylcholine Synonym
  • Dimyristoyl sn-3-phosphatidylcholine Synonym
  • DMPC Synonym
  • 1,2-Dimyristoyl-sn-glycero-3-phosphatidylcholine Synonym
  • 3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (R)- Synonym
  • 1,2-Dimyristoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Dimyristoyl-sn-phosphatidylcholine Synonym
  • 1,2-Bis(myristoyl)-sn-glycerophosphocholine Synonym
  • 1,2-Ditetradecanoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Dimyristoylphosphatidylcholine Synonym
  • 1,2-Myristoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Ditetradecanoyl-sn-glycero-3-phosphocholine Synonym
  • Dimyristoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Dimyristoyl-3-sn-phosphatidylcholine Synonym
  • 50: PN: WO2017201317 SEQID: 123 claimed RNA Synonym
  • 1,2-Dimyristoyl-sn-glycero-phosphocholine Synonym
  • Anatrace Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 677.95 g/mol CAS Common Chemistry
677.9449999999996 g/mol RDKit
677.945 g/mol RDKit
Canonical SMILES O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC CAS Common Chemistry
InChI InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1 CAS Common Chemistry
InChI Key InChIKey=CITHEXJVPOWHKC-UUWRZZSWSA-N CAS Common Chemistry
Melting Point 23 °C CAS Common Chemistry
Name 1,2-Dimyristoyl-sn-glycero-3-phosphocholine CAS Common Chemistry
Heavy Atom Count 46 RDKit
Hydrogen Bond Acceptors 8 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 34 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 111.19 Ų RDKit
LogP 9.051400000000005 RDKit
9.0514 RDKit
Molar Refractivity 185.4048999999994 cm³/mol RDKit
Ring Count 0 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.9444 RDKit
0.94 chempirical lib
Exact Mass 677.4995548939999 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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MW = 677.95 g/mol. Edit any field — others recompute live.

Related

Related molecules

Other compounds with formula C36H72NO8P.

(7R)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxododecyl)Oxy]-3,5,9-Trioxa-4-Phosphapentacosan-1-Aminium Inner Salt 4-Oxide CAS 82765-47-7

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