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TAMRA DBCO, 5-isomer

CAT: 0804-HY-D2758Size: 1 EachDry Ice: NoHazardous: No
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Description
TAMRA DBCO, 5-isomer is a derivative of tetramethylrhodamine (TMR, TAMRA) containing a cyclooctyne moiety (dibenzocyclooctyne, DBCO) . Pure 5-isomer. DBCO reacts quickly and efficiently with azides by simply mixing the components without the need for a copper catalyst (so-called sterically promoted cycloaddition reaction (SPAAC) ) . TAMRA DBCO can be used for the labeling of proteins, peptides, nucleic acids, and other molecules containing azide groups.
CAS Number
1911598-65-6
UNSPSC
12171500
Target
Fluorescent Dye
Related Pathways
Others
Field of Research
Others
Smiles
O=C(C1=C(C2=C3C=CC(N(C)C)=CC3=[O+]C4=C2C=CC(N(C)C)=C4)C=CC(C(NCCCCCC(N5C6=C(C#CC7=C(C5)C=CC=C7)C=CC=C6)=O)=O)=C1)[O-]
Molecular Formula
C46H42N4O5
Molecular Weight
730.85
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

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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Alternative Products

CatalogName
T206316-01TAMRA DBCO, 5-isomer
271F0TAMRA DBCO, 5-isomer, 5 mg
471F0TAMRA DBCO, 5-isomer, 25 mg
571F0TAMRA DBCO, 5-isomer, 50 mg
671F0TAMRA DBCO, 5-isomer, 100 mg
171F0TAMRA DBCO, 5-isomer, 1 mg
GTR19351062-015-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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