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MAC glucuronide linker-2

CAT: 0013-GTR19215644-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215644-01Size:500 mg
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Description
MAC glucuronide linker-2 is a cleavable linker used in the construction of antibody-drug conjugates (ADCs) . It is designed for targeted drug delivery research, facilitating the release of cytotoxic payloads in both in vitro and in vivo experimental models.
CAS Number
229977-57-5
Field of Research
Pharmacology & Drug Discovery
Smiles
COC (=O) [C@H]1O[C@@H] (Oc2ccc (CO) cc2N) [C@H] (OC (C) =O) [C@@H] (OC (C) =O) [C@@H]1OC (C) =O
Molecular Formula
C20H25NO11
Molecular Weight
455.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MAC glucuronide linker-2
CAS Number229977-57-5
PubChem CID59816530
IUPAC Namemethyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxane-2-carboxylate
Molecular FormulaC20H25NO11
Molecular Weight455.4
XLogP-0.1
Topological Polar Surface Area170
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity699
SMILES
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=C(C=C(C=C2)CO)N)C(=O)OC)OC(=O)C
InChI
InChI=1S/C20H25NO11/c1-9(23)28-15-16(29-10(2)24)18(30-11(3)25)20(32-17(15)19(26)27-4)31-14-6-5-12(8-22)7-13(14)21/h5-7,15-18,20,22H,8,21H2,1-4H3/t15-,16-,17-,18+,20+/m0/s1
InChIKey
ZAZPQJAJSIUIEY-KVIJGQROSA-N
Chemical Structure
2D Structure
2D structure of MAC glucuronide linker-2
CAS: 229977-57-5
CID: 59816530
Formula: C20H25NO11
MW: 455.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.4
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass455.14276061
Monoisotopic Mass455.14276061
Topological Polar Surface Area170 Ų
Heavy Atom Count32
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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