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LC-PEG8-SPDP

CAT: 0931-T15724-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15724-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1252257-56-9
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
LC-PEG8-SPDP is a cleavable ADC linker utilized in antibody-drug conjugates (ADCs) [1].
Smiles
O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC2=NC=CC=C2
Molecular Formula
C31H49N3O13S2
Molecular Weight
735.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SPDP-PEG8-NHS ester
CAS Number1252257-56-9
PubChem CID51341024
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC31H49N3O13S2
Molecular Weight735.9
XLogP-1.3
Topological Polar Surface Area230
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count16
Rotatable Bond Count34
Heavy Atom Count49
Formal Charge0
Complexity878
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC2=CC=CC=N2
InChI
InChI=1S/C31H49N3O13S2/c35-27(7-26-48-49-28-3-1-2-8-33-28)32-9-11-40-13-15-42-17-19-44-21-23-46-25-24-45-22-20-43-18-16-41-14-12-39-10-6-31(38)47-34-29(36)4-5-30(34)37/h1-3,8H,4-7,9-26H2,(H,32,35)
InChIKey
HKFFRXQWQMCBEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SPDP-PEG8-NHS ester
CAS: 1252257-56-9
CID: 51341024
Formula: C31H49N3O13S2
MW: 735.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.9
XLogP3-1.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count16
Rotatable Bond Count34
Exact Mass735.27068097
Monoisotopic Mass735.27068097
Topological Polar Surface Area230 Ų
Heavy Atom Count49
Formal Charge0
Complexity878
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

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