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DOTA-tris(tert-butyl ester)

DOTA-tris(tert-butyl ester) - CAS 137076-54-1

Catalog:	BB054749
Product Name:	DOTA-tris(tert-butyl ester)
CAS:	137076-54-1
Synonyms:	Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate; DOTA tri(tert-butyl) ester; DOTA(OBu-t)3; Tri-tert-Bu-DOTA; 2-(4,7,10-Tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid; DOTA(OtBu); 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-dimethylethyl) ester; 1,4,7,10-Tetraazacyclododecane-1,4,7-tris-tert-butyl acetate-10-acetic acid

DOTA-tris(tert-butyl ester)

Ordering Information

Catalog	Size	Price	Stock	Quantity
BB054749	500 mg	$249	In stock

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Technical Data

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Computed Properties

IUPAC Name:	2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Description:	It is the PDC linker targeting moietie of peptide drug conjugates (PDCs).
Molecular Weight:	572.73
Molecular Formula:	C28H52N4O8
Canonical SMILES:	CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O
InChI:	InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)
InChI Key:	RVUXZXMKYMSWOM-UHFFFAOYSA-N
Boiling Point:	632.1±55.0 °C at 760 mmHg
Melting Point:	88-93 °C
Purity:	95%
Density:	1.079±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly), Water-based (Slightly)
Appearance:	Pale Beige Solid
Storage:	Store at 2-8 °C, under inert atmosphere

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