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MB 543 DBCO

CAT: 0013-GTR19315602-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19315602-02Size:50 mg
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Description
MB 543 DBCO is a fluorescent agent with a terminal DBCO group. The DBCO group is commonly utilized in copper-free click chemistry due to its strain-induced high reactivity. MB 543 alkyne is a highly hydrophilic, water-soluble orange fluorescent dye, exhibiting a maximum absorption wavelength of 543 nm and an emission wavelength of 566 nm. This compound remains stable across a pH range of pH 3 to pH 10.
CAS Number
2563610-26-2
Molecular Weight
1076.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mb543 DBCO
CAS Number2563610-26-2
PubChem CID172908286
IUPAC Name13-[4-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamoyl]-2-[methyl(2-sulfoethyl)carbamoyl]phenyl]-7,7,9,17,19,19-hexamethyl-2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,21-octaene-4,22-disulfonic acid
Molecular FormulaC54H53N5O13S3
Molecular Weight1076.2
XLogP3.5
Topological Polar Surface Area292
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count75
Formal Charge0
Complexity2930
SMILES
CC1CC(NC2=C(C3=C(C=C12)C(=C4C=C5C(=CC(N=C5C(=C4O3)S(=O)(=O)O)(C)C)C)C6=C(C=C(C=C6)C(=O)NCCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97)C(=O)N(C)CCS(=O)(=O)O)S(=O)(=O)O)(C)C
InChI
InChI=1S/C54H53N5O13S3/c1-30-27-53(3,4)56-45-37(30)25-40-44(41-26-38-31(2)28-54(5,6)57-46(38)50(75(69,70)71)48(41)72-47(40)49(45)74(66,67)68)36-19-18-34(24-39(36)52(62)58(7)22-23-73(63,64)65)51(61)55-21-20-43(60)59-29-35-14-9-8-12-32(35)16-17-33-13-10-11-15-42(33)59/h8-15,18-19,24-27,31,57H,20-23,28-29H2,1-7H3,(H,55,61)(H,63,64,65)(H,66,67,68)(H,69,70,71)
InChIKey
IPPZDQGFWMARGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mb543 DBCO
CAS: 2563610-26-2
CID: 172908286
Formula: C54H53N5O13S3
MW: 1076.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1076.2
XLogP33.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass1075.28020028
Monoisotopic Mass1075.28020028
Topological Polar Surface Area292 Ų
Heavy Atom Count75
Formal Charge0
Complexity2930
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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