Home > Compound List > Compound details
67232-81-9 molecular structure
click picture or here to close

sodium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl hexadecanoate

ChemBase ID: 134342
Molecular Formular: C38H74NaO10P
Molecular Mass: 744.951691
Monoisotopic Mass: 744.49172948
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC.[Na+]
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC(CO)O)[O-].[Na+]
InChI:
InChI=1S/C38H75O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36,39-40H,3-34H2,1-2H3,(H,43,44);/q;+1/p-1/t35?,36-;/m1./s1
InChIKey:
LDWIWSHBGAIIMV-ODZMYOIVSA-M

Cite this record

CBID:134342 http://www.chembase.cn/molecule-134342.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
IUPAC Traditional name
sodium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
Synonyms
1,2-Dihexadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) sodium salt
L-α-Phosphatidyl-DL-glycerol, dipalmitoyl
DPPG-Na
Hexadecanoic acid 1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester
PG(16:0/16:0)
1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt
CAS Number
67232-81-9
MDL Number
MFCD00070068
PubChem SID
24898920
162228618
PubChem CID
46891827

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46891827 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8907738  H Acceptors
H Donor LogD (pH = 5.5) 8.5852375 
LogD (pH = 7.4) 8.560971  Log P 10.937052 
Molar Refractivity 194.1872 cm3 Polarizability 78.51183 Å3
Polar Surface Area 151.65 Å2 Rotatable Bonds 40 
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
≥96.0% (TLC) expand Show data source
≥99% (TLC) expand Show data source
Biological Source
from synthetic expand Show data source
Linear Formula
C38H74O10PNa expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P9789 external link
General description
Forms classical lipid bilayers. At low temperature, however, an unusual and much thinner bilayer forms where the hydrocarbon chains are interdigitated.1
Other Notes
PG(16:0/16:0)
Sigma Aldrich - 50984 external link
General description
Forms classical lipid bilayers. At low temperature, however, an unusual and much thinner bilayer forms where the hydrocarbon chains are interdigitated.1
Other Notes
PG(16:0/16:0)

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle