2-[[2-[Carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-carboxy-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid

Base Information

• Chemical Name: 2-[[2-[Carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-carboxy-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid
• CAS No.: 118896-98-3
• Molecular Formula: C46H75 N11 O16 S2
• Molecular Weight: 1074.23
• European Community (EC) Number: 634-259-1
• DSSTox Substance ID: DTXSID50391970
• Mol file: 118896-98-3.mol

Synonyms:118896-98-3;2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-carboxy-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid;DTXSID50391970;LKGHKLSIBPOASY-UHFFFAOYSA-N;J-003903;Diethylenetriaminepentaacetic acid alpha, ?-bis(biocytinamide);Diethylenetriaminepentaacetic acid alpha , omega -bis(biocytinamide);Diethylenetriaminepentaacetic acid alpha,omega-bis(biocytinamide), >=95% (TLC);6,9,12-tris(carboxymethyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)

Chemical Property of 2-[[2-[Carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-carboxy-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 1485.7°C at 760 mmHg
• Flash Point: 852.3°C
• PSA: 445.48000
• Density: 1.35g/cm³
• LogP: 0.40820
• Storage Temp.: 2-8°C
• XLogP3: -7.9
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 40
• Exact Mass: 1101.48346769
• Heavy Atom Count: 75
• Complexity: 1860

Purity/Quality:

98%Min ^*data from raw suppliers

Diethylenetriaminepentaacetic acid α,ω-bis(biocytinamide) ≥95% (TLC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)NC(=O)CN(CCN(CCN(CC(=O)NC(CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)N2
• Uses: A metal chelating agent which may be site-directed by using the biotin-avidin binding system.