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Molecule

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

CAS: 816-94-4 · C44H88NO8P

2D Structure

3D Structure

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Basic Information

CAS Registry Number
816-94-4
Molecular Formula
C44H88NO8P
Molecular Mass
790.16 g/mol

Identifiers

CAS Registry Number

816-94-4

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI Key

NRJAVPSFFCBXDT-HUESYALOSA-N

InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1

Names and Synonyms

  • 1,2-Distearoyl-Sn-Glycero-3-Phosphocholine Synonym
  • L-β,γ-Distearoyl-α-lecithin Synonym
  • Distearoyl-L-α-phosphatidylcholine Synonym
  • L-Distearoyllecithin Synonym
  • Distearoyl-L-α-glycerophosphocholine Synonym
  • L-β,γ-Distearoyl-α-phosphatidylcholine Synonym
  • Distearoyl sn-3-phosphatidylcholine Synonym
  • 1,2-Distearoyl-sn-3-phosphocholine Synonym
  • 1,2-Distearoyl-sn-glycerophosphocholine Synonym
  • DSPC Synonym
  • 1,2-Distearoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Bis(stearoyl)-sn-glycero-3-phosphocholine Synonym
  • 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, inner salt, 4-oxide, (R)- Synonym
  • Distearoylphosphatidylcholine Synonym
  • 1,2-Dioctadecanoyl-sn-glycero-3-phosphocholine Synonym
  • Distearoyl-sn-glycero-3-phosphocholine Synonym
  • Coatsome MC 8080 Synonym
  • 1,2-Distearoyl-sn-glycero-3-phosphatidylcholine Synonym
  • 1,2-Dioctadecanoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Distearoyl-sn-glycero-3-phosphocholine Synonym
  • L-DSPC Synonym
  • [(2R)-2,3-Di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Synonym
  • 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, inner salt, 4-oxide, (7R)- Synonym
  • Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-distearin, L- Synonym
  • 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)- Synonym
  • Choline phosphate, 3-ester with L-1,2-distearin Synonym
  • Distearoyl-L-α-lecithin Synonym
  • 1,2-Distearoyl-sn-glycero-3-phosphorylcholine Synonym
  • Dioctadecanoyl-L-α-glycerophosphorylcholine Synonym
  • L-α-Distearoylphosphatidylcholine Synonym
  • 1,2-L-α-Distearoylphosphatidylcholine Synonym
  • β,γ-Distearoyl L-α-phosphatidylcholine Synonym
  • 1,2-Distearoyl-sn-glycero-3-phosphocholine Synonym
  • 1,2-Distearoyl-L-α-glycerophosphocholine Synonym
  • 1,2-Distearoyl-3-sn-phosphatidylcholine Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 790.16 g/mol CAS Common Chemistry
790.1609999999991 g/mol RDKit
790.161 g/mol RDKit
Canonical SMILES O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC CAS Common Chemistry
InChI InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1 CAS Common Chemistry
InChI Key InChIKey=NRJAVPSFFCBXDT-HUESYALOSA-N CAS Common Chemistry
Melting Point 230.5-231.5 °C CAS Common Chemistry
Name 1,2-Distearoyl-sn-glycero-3-phosphocholine CAS Common Chemistry
Heavy Atom Count 54 RDKit
Hydrogen Bond Acceptors 8 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 42 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 111.19 Ų RDKit
LogP 12.172199999999988 RDKit
12.1722 RDKit
Molar Refractivity 222.34089999999895 cm³/mol RDKit
Ring Count 0 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.9545 RDKit
0.95 chempirical lib
Exact Mass 789.6247554059998 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.

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MW = 790.16 g/mol. Edit any field — others recompute live.

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