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816-94-4 molecular structure
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(2-{[(2R)-2,3-bis(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

ChemBase ID: 132012
Molecular Formular: C44H88NO8P
Molecular Mass: 790.145181
Monoisotopic Mass: 789.62475541
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
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
InChIKey:
NRJAVPSFFCBXDT-HUESYALOSA-N

Cite this record

CBID:132012 http://www.chembase.cn/molecule-132012.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-{[(2R)-2,3-bis(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
IUPAC Traditional name
distearoyl phosphatidylcholine
Synonyms
1,2-Dioctadecanoyl-sn-glycero-3-phosphocholine
1,2-Distearoyl-sn-glycero-3-phosphocholine
3-sn-Phosphatidylcholine, 1,2-distearoyl
L-α-Phosphatidylcholine, distearoyl
L-β,γ-Distearoyl-α-lecithin
DSPC
PC(18:0/18:0)
pre-Liposomes Formulation 5
1,2-Distearoyl-sn-glycero-3-phosphocholine
(R)-2,3-Bis(stearoyloxy)propyl (2-(triMethylaMMonio)ethyl) phosphate
CAS Number
816-94-4
EC Number
212-440-2
MDL Number
MFCD00036905
Beilstein Number
3923978
PubChem SID
24898160
162226289
PubChem CID
94190

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 94190 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8550572  H Acceptors
H Donor LogD (pH = 5.5) 11.915575 
LogD (pH = 7.4) 11.915671  Log P 9.892071 
Molar Refractivity 234.2691 cm3 Polarizability 89.74931 Å3
Polar Surface Area 111.19 Å2 Rotatable Bonds 44 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥99% expand Show data source
≥99% (TLC) expand Show data source
≥99.0% (TLC) expand Show data source
97% expand Show data source
Shipped in
wet ice expand Show data source
Empirical Formula (Hill Notation)
C44H88NO8P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P1138 external link
General description
Non-pyrogenic, well-defined liposomes, loaded with a molecule of choice, are formed by a single hydration step.
Sigma Aldrich - P6517 external link
General description
Non-pyrogenic, well-defined liposomes, loaded with a molecule of choice, are formed by a single hydration step.
Preparation Note
A further purification by crystallization of P1138.
Sigma Aldrich - L3156 external link
Application
For preparation of neutral surface liposomes with high melting lipids.
General description
Non-pyrogenic, well-defined liposomes, loaded with a molecule of choice, are formed by a single hydration step.
Other Notes
L-α-phosphatidylcholine, distearoyl
包装
Procedure for liposome preparation is included.
Sigma Aldrich - 43698 external link
General description
Non-pyrogenic, well-defined liposomes, loaded with a molecule of choice, are formed by a single hydration step.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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