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Lipid catechol

CAT: 0931-T203660-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203660-01Size:10 mg
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CAS Number
2930813-52-6
Target
Liposome
Related Pathways
Metabolism
Bioactivity
Lipid catechol is a lipid that forms lipid prodrug nanoassemblies (LPNA) with boronic acid-containing compounds. It holds potential for research in drug delivery.
Smiles
O=P(OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)C(NCCN(CC)CC)C1=CC=C(O)C(O)=C1
Molecular Formula
C41H79N2O5P
Molecular Weight
711.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lipid Catechol
CAS Number2930813-52-6
PubChem CID171042958
IUPAC Name4-[[2-(diethylamino)ethylamino]-di(tetradecoxy)phosphorylmethyl]benzene-1,2-diol
Molecular FormulaC41H79N2O5P
Molecular Weight711.0
XLogP14.1
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count36
Heavy Atom Count49
Formal Charge0
Complexity721
SMILES
CCCCCCCCCCCCCCOP(=O)(C(C1=CC(=C(C=C1)O)O)NCCN(CC)CC)OCCCCCCCCCCCCCC
InChI
InChI=1S/C41H79N2O5P/c1-5-9-11-13-15-17-19-21-23-25-27-29-35-47-49(46,48-36-30-28-26-24-22-20-18-16-14-12-10-6-2)41(42-33-34-43(7-3)8-4)38-31-32-39(44)40(45)37-38/h31-32,37,41-42,44-45H,5-30,33-36H2,1-4H3
InChIKey
FBHHXUJQQWKTRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lipid Catechol
CAS: 2930813-52-6
CID: 171042958
Formula: C41H79N2O5P
MW: 711.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight711.0
XLogP314.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count36
Exact Mass710.57266062
Monoisotopic Mass710.57266062
Topological Polar Surface Area91.3 Ų
Heavy Atom Count49
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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