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Structure

Diethylenetriaminepentaacetic acid alpha,omega-bis(biocytinamide)

CAS
118896-98-3
Catalog Number
ACM118896983
Category
Other Products
Molecular Weight
1074.23
Molecular Formula
C44H71N11O16S2

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Specification

Synonyms
118896-98-3, Diethylenetriaminepentaacetic acid alpha,omega-bis(biocytinamide), AC1MPB8E, D1534_ALDRICH, D1534_SIGMA, Diethylenetriaminepentaacetic acid |A,|O-bis(biocytinamide), 2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-hydroxy-1-oxo-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexan-2-yl]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, 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)
IUPAC 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-hexahydroth
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
InChI Key
LKGHKLSIBPOASY-UHFFFAOYSA-N
Boiling Point
1485.7ºC at 760 mmHg
Flash Point
852.3ºC
Density
1.35g/cm³
Exact Mass
1073.45000
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
21
H-Bond Donor
13
Safety Description
36
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