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63-89-8 molecular structure
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(2-{[2,3-bis(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

ChemBase ID: 102186
Molecular Formular: C40H80NO8P
Molecular Mass: 734.038861
Monoisotopic Mass: 733.56215516
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
InChI:
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
InChIKey:
KILNVBDSWZSGLL-UHFFFAOYSA-N

Cite this record

CBID:102186 http://www.chembase.cn/molecule-102186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-{[2,3-bis(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
IUPAC Traditional name
colfosceril palmitate
Synonyms
β-β-Dipalmitoyl-L-α-lecithin
1,2-Dipalmitoyl-sn-glycero-3-phosphocholine
1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine
L-α-LECITHIN DIPALMITOYL
L-DPPC
L-Dipalmitoyl Lecithin
L-α-1,2-Dipalmitoyl Lecithin
L-α-DPPC
L-α-Dipalmitoylecithin
L-α-Dipalmitoyllecithin
L-α-Dipalmitoylphosphatidylcholine
L-α-Lecithin
L-β,γ-Dipalmitoyl-α-lecithin
L-β,γ-Dipalmitoyl-α-phosphatidylcholine
L-β,γ-Dipalmitoylphosphatidylcholine
Colfosceril Palmitate
(7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium Inner Salt 4-Oxide
1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine
1,2-Bis(palmitoyl)-sn-glycero-3-phosphocholine
L-1,2-Dipalmitoylphosphatidyl-choline
CAS Number
63-89-8
EC Number
200-567-6
PubChem SID
162088130
PubChem CID
6138

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6138 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8550572  H Acceptors
H Donor LogD (pH = 5.5) 10.1373005 
LogD (pH = 7.4) 10.137397  Log P 8.113796 
Molar Refractivity 215.8651 cm3 Polarizability 82.38789 Å3
Polar Surface Area 111.19 Å2 Rotatable Bonds 40 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
-20°C expand Show data source
MSDS Link
Download expand Show data source
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Purity
98% expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals TRC TRC
MP Biomedicals - 02100503 external link
Synthetic
Purity: 98%
Toronto Research Chemicals - C640500 external link
Colfosceril Palmitate is a major phospholipid constituent and primary surface tension lowering component of natural lung surfactant. Colfosceril Palmitate is used as pulmonary surfactant and diagnostic aid (fetal lung maturity).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Cha, S., et al.: J. Biol. Chem., 273, 2153 (1998)
  • • Pantusa, M., et al.: Biophys Chem., 114, 121 (1998)
  • • Pantusa, M., et al.: Eur. Biophys. J., 37, 961 (1998)
  • • Lautenslager, G., et al.: Metabolism, 60, 1683 (1998)
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PATENTS

PATENTS

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INTERNET

INTERNET

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