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Tetrazine-biotin

CAT: 0607-BA2480-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2480-5Size:5 mg
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Description
Tetrazine-biotin can be used to synthesize antibody-coupled active molecules (ADCs) .
CAS Number
1714123-51-9
Molecular Formula
C19H23N7O2S
Molecular Weight
413.50
Storage Conditions
-20°C
Physical Properties
A solid

Chemical Information

Tetrazine-biotin
CAS Number1714123-51-9
PubChem CID146673099
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pentanamide
Molecular FormulaC19H23N7O2S
Molecular Weight413.5
XLogP-0.1
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity567
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCC3=CC=C(C=C3)C4=NN=CN=N4)NC(=O)N2
InChI
InChI=1S/C19H23N7O2S/c27-16(4-2-1-3-15-17-14(10-29-15)23-19(28)24-17)20-9-12-5-7-13(8-6-12)18-25-21-11-22-26-18/h5-8,11,14-15,17H,1-4,9-10H2,(H,20,27)(H2,23,24,28)/t14-,15-,17-/m0/s1
InChIKey
GBJXXSUDJUYIIH-ZOBUZTSGSA-N
Chemical Structure
2D Structure
2D structure of Tetrazine-biotin
CAS: 1714123-51-9
CID: 146673099
Formula: C19H23N7O2S
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass413.16339418
Monoisotopic Mass413.16339418
Topological Polar Surface Area147 Ų
Heavy Atom Count29
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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