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TAMRA DBCO, 5-isomer

CAT: 0013-GTR19287981-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19287981-01Size:10 mg
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Description
TAMRA DBCO, 5-isomer is a derivative of tetramethylrhodamine (TMR, TAMRA) that includes a cyclooctyne moiety (dibenzocyclooctyne, DBCO) . This compound is the pure 5-isomer and is capable of reacting rapidly and efficiently with azides in a copper-free manner through strain-promoted azide-alkyne cycloaddition (SPAAC) . TAMRA DBCO, 5-isomer can be employed for labeling proteins, peptides, nucleic acids, and other azide-containing molecules.
CAS Number
1911598-65-6
Molecular Weight
730.849
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TAMRA DBCO, 5-isomer
CAS Number1911598-65-6
PubChem CID172945154
IUPAC Name5-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
Molecular FormulaC46H42N4O5
Molecular Weight730.8
XLogP6.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count55
Formal Charge0
Complexity1610
SMILES
CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCCCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C(=O)[O-]
InChI
InChI=1S/C46H42N4O5/c1-48(2)34-20-23-37-41(27-34)55-42-28-35(49(3)4)21-24-38(42)44(37)36-22-19-32(26-39(36)46(53)54)45(52)47-25-11-5-6-16-43(51)50-29-33-14-8-7-12-30(33)17-18-31-13-9-10-15-40(31)50/h7-10,12-15,19-24,26-28H,5-6,11,16,25,29H2,1-4H3,(H-,47,52,53,54)
InChIKey
RIUAIMMPQYJBHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TAMRA DBCO, 5-isomer
CAS: 1911598-65-6
CID: 172945154
Formula: C46H42N4O5
MW: 730.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight730.8
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass730.31552045
Monoisotopic Mass730.31552045
Topological Polar Surface Area105 Ų
Heavy Atom Count55
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-D2758TAMRA DBCO, 5-isomer
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571F0TAMRA DBCO, 5-isomer, 50 mg
671F0TAMRA DBCO, 5-isomer, 100 mg
171F0TAMRA DBCO, 5-isomer, 1 mg
HY-D28915-TAMRA-DBCO
CLK-A131N-25DBCO-PEG4-5-TAMRA
JBS-CLK-A131N-25DBCO-PEG4-5-TAMRA (25 mg)
JBS-CLK-A131N-1DBCO-PEG4-5-TAMRA (1 mg)

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