N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine
Basic information
- CAS
115044-45-6- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNS(=O)(=O)c1ccc(-c2c3ccc(=[N+](CC)CC)cc-3oc3cc(N(CC)CC)ccc23)c(S(=O)(=O)[O-])c1)OC(=O)CCCCCCCCCCCCCCC- InChIKey
NHMNXIHGKOHXQR-UHFFFAOYSA-N- Molecular formula
- C64H102N3O14PS2
- Average molar mass
- 1,232.6 g/mol
- Monoisotopic mass
- 1,231.65408428
Overview
fluorescent probe for phosphatidylcholine lipid bilayers
Names & identifiers
- Preferred name
- N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine
- IUPAC
- 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylsulfamoyl]benzenesulfonate
- English name
- N-(lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamine
- Molecular formula
- C64H102N3O14PS2
- Molecular weight
- 1232.610141
Names & synonyms
Nlrbs-dppc115044-45-6N-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoylphosphatidylethanolamineN-(Lissamine-rhodamine B sulfonyl)-1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamineRefChem:162388SCHEMBL29980789Xanthylium, 3,6-bis(diethylamino)-9-(4-(((4-hydroxy-10-oxo-7-((1-oxohexadecyl)oxy)-3,5,9-trioxa-4-phosphapentacos-1-yl)amino)sulfonyl)-2-sulfophenyl)-, hydroxide, inner salt, P-oxide
Database identifiers
- CAS
115044-45-6- PubChem CID
- 74986
Properties
Computed structural properties
- XLogP
- 15.7
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 48
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,240
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