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TAMRA-PEG4-t-butyl ester

CAT: 0931-T206320-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206320-01Size:10 mg
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CAS Number
2353409-64-8
Bioactivity
TAMRA-PEG4-t-butyl ester is a red fluorescent TAMRA dye linker with maximal excitation/emission wavelengths of 553/575 nm. It contains a carboxyl group protected with t-butyl, which can be deprotected under acidic conditions.
Smiles
O=C1OC2(C3=CC=C(C=C3OC4=CC(=CC=C42)N(C)C)N(C)C)C5=CC=C(C=C15)C(=O)NCCOCCOCCOCCOCCC(=O)OC(C)(C)C
Molecular Formula
C40H51N3O10
Molecular Weight
733.847
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tert-butyl 3-[2-[2-[2-[2-[[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CAS Number2353409-64-8
PubChem CID137334015
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC40H51N3O10
Molecular Weight733.8
XLogP3.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Heavy Atom Count53
Formal Charge0
Complexity1160
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)N(C)C)OC5=C3C=CC(=C5)N(C)C)OC2=O
InChI
InChI=1S/C40H51N3O10/c1-39(2,3)52-36(44)14-16-47-18-20-49-22-23-50-21-19-48-17-15-41-37(45)27-8-11-31-30(24-27)38(46)53-40(31)32-12-9-28(42(4)5)25-34(32)51-35-26-29(43(6)7)10-13-33(35)40/h8-13,24-26H,14-23H2,1-7H3,(H,41,45)
InChIKey
OAFALWUYRILJSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 3-[2-[2-[2-[2-[[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CAS: 2353409-64-8
CID: 137334015
Formula: C40H51N3O10
MW: 733.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight733.8
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Exact Mass733.35744483
Monoisotopic Mass733.35744483
Topological Polar Surface Area134 Ų
Heavy Atom Count53
Formal Charge0
Complexity1160
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