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Mal-amido-PEG8-C2-acid

CAT: 0931-T15961-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T15961-01Size:5 mg
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CAS Number
1334177-86-4
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Mal-amido-PEG8-C2-acid (US2018339985, example 142) is a noncleavable linker for antibody-drug conjugates (ADCs) [1].
Smiles
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
Molecular Formula
C26H44N2O13
Molecular Weight
592.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mal-amido-PEG8-acid
CAS Number1334177-86-4
PubChem CID51340955
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC26H44N2O13
Molecular Weight592.6
XLogP-1.9
Topological Polar Surface Area178
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Heavy Atom Count41
Formal Charge0
Complexity733
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C26H44N2O13/c29-23(3-6-28-24(30)1-2-25(28)31)27-5-8-35-10-12-37-14-16-39-18-20-41-22-21-40-19-17-38-15-13-36-11-9-34-7-4-26(32)33/h1-2H,3-22H2,(H,27,29)(H,32,33)
InChIKey
ARKUDJPBDMAVBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amido-PEG8-acid
CAS: 1334177-86-4
CID: 51340955
Formula: C26H44N2O13
MW: 592.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight592.6
XLogP3-1.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Exact Mass592.28433946
Monoisotopic Mass592.28433946
Topological Polar Surface Area178 Ų
Heavy Atom Count41
Formal Charge0
Complexity733
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