What is the molecular formula of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?
The molecular formula is C24H33N5O8S.
What are the synonyms for S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?
The synonyms are (p-SCN-Bn)-dota, 127985-74-4, p-SCN-Bn-DOTA, p-SCN-Bz-dota, and UNII-13KT123BYW.
What is the molecular weight of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?
The molecular weight is 551.6 g/mol.
When was S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid created?
It was created on October 25, 2006.
When was S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid last modified?
It was last modified on October 21, 2023.
What is the IUPAC name of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?
The IUPAC name is 2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.
What is the InChI code for S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?
The InChI code is InChI=1S/C24H33N5O8S/c30-21(31)13-26-5-6-27(14-22(32)33)9-10-29(16-24(36)37)20(12-28(8-7-26)15-23(34)35)11-18-1-3-19(4-2-18)25-17-38/h1-4,20H,5-16H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37).
What is the InChIKey of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?
The InChIKey is UDOPJKHABYSVIX-UHFFFAOYSA-N.
What is the canonical SMILES representation of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?
The canonical SMILES representation is C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O).
What is the CAS number of S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane tetraacetic acid?
The CAS number is 127985-74-4.
※ Please kindly note that our products are for research use only.