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3-Azidopropionic Acid Sulfo-NHS Ester

CAT: 0013-GTR19196041-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196041-01Size:5 mg
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Description
This water-soluble bifunctional reagent features an NHS ester for amine conjugation and an azide group for bioorthogonal click chemistry with alkynes, DBCO, or BCN. It is widely used for labeling proteins and oligonucleotides in vitro and for constructing antibody-drug conjugates and imaging probes, as supported by published bioconjugation methodologies.
CAS Number
2055198-09-7
Smiles
[O-]S (=O) (C1CC (N (C1=O) OC (CCN=[N+]=[N-]) =O) =O) =O.[Na+]
Molecular Formula
C7H7N4NaO7S
Molecular Weight
314.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Azidopropionic Acid Sulfo-NHS Ester
CAS Number2055198-09-7
PubChem CID123132088
IUPAC Namesodium 1-(3-azidopropanoyloxy)-2,5-dioxopyrrolidine-3-sulfonate
Molecular FormulaC7H7N4NaO7S
Molecular Weight314.21
Topological Polar Surface Area144
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity564
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCN=[N+]=[N-])S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C7H8N4O7S.Na/c8-10-9-2-1-6(13)18-11-5(12)3-4(7(11)14)19(15,16)17;/h4H,1-3H2,(H,15,16,17);/q;+1/p-1
InChIKey
KDBRVBYZPBFADS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 3-Azidopropionic Acid Sulfo-NHS Ester
CAS: 2055198-09-7
CID: 123132088
Formula: C7H7N4NaO7S
MW: 314.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.21
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass313.99331403
Monoisotopic Mass313.99331403
Topological Polar Surface Area144 Ų
Heavy Atom Count20
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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