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PC Biotin-PEG3-alkyne

CAT: 1410-M33453-01Size: 1 EachDry Ice: NoHazardous: No
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Description
PC Biotin-PEG3-alkyne is an ADC linker, cleavable 3-unit PEG, which can also be used to synthesize antibody drug conjugates (ADCs) .
CAS Number
1869922-24-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
780.89
Molecular Formula
C35H52N6O12S
Notes
Research use only, not for human use.
Receptor
ADC Linker

Chemical Information

1(4(3((2(2(2(2(5((3aS,4S,6aR)2-oxohexahydro-1H-thieno(3,4-d)imidazole-4-yl)pentanamido)ethoxy)ethoxy)ethoxy)ethyl)carbamoyl)propoxy)-5-methoxy-2-nitrophenyl)ethyl N-(prop-2-yn-1-yl)carbamate
CAS Number1869922-24-6
PubChem CID91757783
IUPAC Name1-[4-[4-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl N-prop-2-ynylcarbamate
Molecular FormulaC35H52N6O12S
Molecular Weight780.9
XLogP0.7
Topological Polar Surface Area255
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count27
Heavy Atom Count54
Formal Charge0
Complexity1230
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)OC)OC(=O)NCC#C
InChI
InChI=1S/C35H52N6O12S/c1-4-11-38-35(45)53-24(2)25-21-28(48-3)29(22-27(25)41(46)47)52-14-7-10-32(43)37-13-16-50-18-20-51-19-17-49-15-12-36-31(42)9-6-5-8-30-33-26(23-54-30)39-34(44)40-33/h1,21-22,24,26,30,33H,5-20,23H2,2-3H3,(H,36,42)(H,37,43)(H,38,45)(H2,39,40,44)/t24?,26-,30-,33-/m0/s1
InChIKey
HRHZIAGPIYYJMG-MJUSKHNJSA-N
Chemical Structure
2D Structure
2D structure of 1(4(3((2(2(2(2(5((3aS,4S,6aR)2-oxohexahydro-1H-thieno(3,4-d)imidazole-4-yl)pentanamido)ethoxy)ethoxy)ethoxy)ethyl)carbamoyl)propoxy)-5-methoxy-2-nitrophenyl)ethyl N-(prop-2-yn-1-yl)carbamate
CAS: 1869922-24-6
CID: 91757783
Formula: C35H52N6O12S
MW: 780.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight780.9
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count27
Exact Mass780.33639229
Monoisotopic Mass780.33639229
Topological Polar Surface Area255 Ų
Heavy Atom Count54
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes