t-Boc-N-amido-PEG6-propionic acid - CAS 882847-13-4

Name: t-Boc-N-amido-PEG6-propionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038811
Product Name:	t-Boc-N-amido-PEG6-propionic acid
CAS:	882847-13-4
Synonyms:	Boc-NH-PEG6-CH2CH2COOH; t-Boc-NH-amido-PEG6-COOH; Boc-NH-PEG6-COOH; t-Boc-N-amido-PEG6-acid; Boc-21-amino-4,7,10,13,16,19-hexaoxaheneicosanoic acid; 21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid; 2,2-Dimethyl-4-oxo-3,8,11,14,17,20,23-heptaoxa-5-azahexacosan-26-oic acid; 3,8,11,14,17,20,23-Heptaoxa-5-azahexacosan-26-oic acid, 2,2-dimethyl-4-oxo-; 21-[(tert-Butoxycarbonyl)amino]-4,7,10,13,16,19-hexaoxaheneicosanoic Acid; 5,8,11,14,17,20-Hexaoxa-2-azatricosanedioic acid 1-(1,1-dimethylethyl) ester

Technical Data

Related CAS:	187848-68-6 (polymer)
IUPAC Name:	3-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Description:	Boc-NH-PEG6-CH2CH2COOH is a cleavable ADC linker used as a linker for antibody-drug conjugates (ADC).
Molecular Weight:	453.52
Molecular Formula:	C20H39NO10
Canonical SMILES:	CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI:	InChI=1S/C20H39NO10/c1-20(2,3)31-19(24)21-5-7-26-9-11-28-13-15-30-17-16-29-14-12-27-10-8-25-6-4-18(22)23/h4-17H2,1-3H3,(H,21,24)(H,22,23)
InChI Key:	FTTYOIHYERRXQB-UHFFFAOYSA-N
Boiling Point:	568.1±50.0 °C at 760 mmHg
Purity:	≥95%
Density:	1.123±0.06 g/cm3
Solubility:	Soluble in DMSO (10 mm)
Appearance:	Pale Yellow or Colorless Oily Matter
Storage:	Store at -20°C, keep in dry and avoid sunlight
LogP:	1.47630

Publication Number	Title	Priority Date
WO-2021195295-A1	Bifunctional molecules and methods of using thereof	20200324
WO-2021177343-A1	Method for releasing compound	20200304
WO-2021102052-A1	Directed conjugation technologies	20191118
US-2021061798-A1	Pyrazole compounds, formulations thereof, and a method for using the compounds and/or formulations	20190830
WO-2021041898-A1	Pyrazole compounds, formulations thereof, and a method for using the compounds and/or formulations	20190830

Complexity:	442
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	453.25739644
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	10
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	453.25739644
Rotatable Bond Count:	23
Topological Polar Surface Area:	131
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5