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Fmoc-NH-PEG8-CH2COOH

CAT: 0931-T15323-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15323-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868594-52-9
Target
PROTAC Linker, ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related, PROTAC
Bioactivity
Fmoc-NH-PEG8-CH2COOH is a cleavable ADC linker utilized in synthesizing antibody-drug conjugates (ADCs) [1].
Smiles
C(OC(NCCOCCOCCOCCOCCOCCOCCOCCOCC(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
Molecular Formula
C33H47NO12
Molecular Weight
649.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fmoc-NH-PEG8-CH2COOH
CAS Number868594-52-9
PubChem CID57884377
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC33H47NO12
Molecular Weight649.7
XLogP1.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count46
Formal Charge0
Complexity768
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C33H47NO12/c35-32(36)26-45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-10-9-34-33(37)46-25-31-29-7-3-1-5-27(29)28-6-2-4-8-30(28)31/h1-8,31H,9-26H2,(H,34,37)(H,35,36)
InChIKey
JRLUSGRARXJCNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-NH-PEG8-CH2COOH
CAS: 868594-52-9
CID: 57884377
Formula: C33H47NO12
MW: 649.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight649.7
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass649.30982593
Monoisotopic Mass649.30982593
Topological Polar Surface Area149 Ų
Heavy Atom Count46
Formal Charge0
Complexity768
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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