Home > Compound List > Compound details
87706-98-7 molecular structure
click picture or here to close

[(2R)-2,3-bis(hexadecanoyloxy)propoxy]({2-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-yl}carbamothioyl)amino]ethoxy})phosphinic acid

ChemBase ID: 169050
Molecular Formular: C58H85N2O13PS
Molecular Mass: 1081.339861
Monoisotopic Mass: 1080.55099842
SMILES and InChIs

SMILES:
c1(cc2c(cc1)C1(c3c(O2)cc(cc3)O)c2c(cc(cc2)NC(=S)NCCOP(=O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O)C(=O)O1)O
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)O[C@@H](COP(=O)(OCCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O)O)COC(=O)CCCCCCCCCCCCCCC
InChI:
InChI=1S/C58H85N2O13PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-54(63)68-42-47(71-55(64)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-70-74(66,67)69-38-37-59-57(75)60-44-31-34-49-48(39-44)56(65)73-58(49)50-35-32-45(61)40-52(50)72-53-41-46(62)33-36-51(53)58/h31-36,39-41,47,61-62H,3-30,37-38,42-43H2,1-2H3,(H,66,67)(H2,59,60,75)/t47-/m1/s1
InChIKey:
LZNPLDBLBWZYIW-QZNUWAOFSA-N

Cite this record

CBID:169050 http://www.chembase.cn/molecule-169050.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2R)-2,3-bis(hexadecanoyloxy)propoxy]({2-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-yl}carbamothioyl)amino]ethoxy})phosphinic acid
IUPAC Traditional name
(2R)-2,3-bis(hexadecanoyloxy)propoxy(2-[({3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl}carbamothioyl)amino]ethoxy)phosphinic acid
Synonyms
Fluorescein-Phosphatidylethanolamine
FPE
Hexadecanoic Acid 1,1'-[(1R)-1-[8-[(3',6'-Diihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-3-hydroxy-3-oxido-8-thioxo-2,4-dioxa-7-aza-3-phosphaoct-1-yl]-1,2-ethanediyl] Ester
Hexadecanoic Acid (1R)-1-[8-[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-3-hydroxy-3-oxido-8-thioxo-2,4-dioxa-7-aza-3-phosphaoct-1-yl]-1,2-ethanediyl Ester
Fluorescein-Dipalmitoylphosphatidylethanolamine
CAS Number
87706-98-7
PubChem SID
162263182
PubChem CID
71316790

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F485500 external link Add to cart
PubChem 71316790 external link
Data Source Data ID Price
TRC
F485500 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316790 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 15.984016  Molar Refractivity 298.7325 cm3
Polarizability 116.73751 Å3 Polar Surface Area 208.41 Å2
Rotatable Bonds 41  Lipinski's Rule of Five false 
Acid pKa 1.9037269  H Acceptors
H Donor LogD (pH = 5.5) 13.632596 
LogD (pH = 7.4) 13.582061 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F485500 external link
Fluorescein-Dipalmitoylphosphatidylethanolamine is used as a real-time probe for peptide-membrane interactions.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kachel, K. et al.: Biochim. Biophys. Acta Biomemb., 1374, 63 (1995)
  • • Wall, J.: Mol. Memb. Biol., 12, 183 (1995)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle