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136724-73-7 molecular structure
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λ2-ruthenium(2+) ion bis(2-(pyridin-2-yl)pyridine) bis(hexafluoro-λ5-phosphanuide) 2,5-dioxopyrrolidin-1-yl 2-(4-methylpyridin-2-yl)pyridine-4-carboxylate

ChemBase ID: 155883
Molecular Formular: C36H29F12N7O4P2Ru
Molecular Mass: 1014.6583204
Monoisotopic Mass: 1015.06081334
SMILES and InChIs

SMILES:
Cc1ccnc(c1)c1cc(ccn1)C(=O)ON1C(=O)CCC1=O.c1ccnc(c1)c1ccccn1.c1ccnc(c1)c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
Canonical SMILES:
c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1ccnc(c1)c1nccc(c1)C(=O)ON1C(=O)CCC1=O.[Ru+2]
InChI:
InChI=1S/C16H13N3O4.2C10H8N2.2F6P.Ru/c1-10-4-6-17-12(8-10)13-9-11(5-7-18-13)16(22)23-19-14(20)2-3-15(19)21;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h4-9H,2-3H2,1H3;2*1-8H;;;/q;;;2*-1;+2
InChIKey:
UQJZJWDQEYXDCR-UHFFFAOYSA-N

Cite this record

CBID:155883 http://www.chembase.cn/molecule-155883.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ2-ruthenium(2+) ion bis(2-(pyridin-2-yl)pyridine) bis(hexafluoro-λ5-phosphanuide) 2,5-dioxopyrrolidin-1-yl 2-(4-methylpyridin-2-yl)pyridine-4-carboxylate
IUPAC Traditional name
λ2-ruthenium(2+) ion bis(bipyridyl) 2,5-dioxopyrrolidin-1-yl 2-(4-methylpyridin-2-yl)pyridine-4-carboxylate dihexafluorophosphate
Synonyms
Ru(bpy)2(mcbpy-O-Su-ester)(PF6)2
Bis(2,2′-bipyridine)-4′-methyl-4-carboxybipyridine-ruthenium N-succinimidyl ester-bis(hexafluorophosphate)
CAS Number
136724-73-7
MDL Number
MFCD02683415
PubChem SID
162250021
24890331
PubChem CID
16218819

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
96631 external link Add to cart Please log in.
Data Source Data ID
PubChem 16218819 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.697264  H Acceptors
H Donor LogD (pH = 5.5) 1.690978 
LogD (pH = 7.4) 1.697335  Log P 1.6974167 
Molar Refractivity 78.9876 cm3 Polarizability 31.770214 Å3
Polar Surface Area 89.46 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Fluorescence
λex 458 nm; λem 628 nm in 0.1 M phosphate pH 7.0 expand Show data source
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
Suitability
suitable for fluorescence expand Show data source
Shipped in
dry ice expand Show data source
Product Line
BioReagent expand Show data source
Empirical Formula (Hill Notation)
C36H29F12N7O4P2Ru expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 96631 external link
Application
Activated ester of ruthenium complex for acylation of amino acid side chain amines.
Features and Benefits
This dye has a long fluorescence lifetime (near 500 nanoseconds) with high photostability, good water solubility, a lack of dye-dye interactions and large Stokes′ shifts.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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