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180152-82-3 | 3,6,9,12-Tetraazatetradecanoic acid, 3,6,9-tris(carboxymethyl)-14-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-11-oxo-
CAS No: 180152-82-3 Catalog No: AG0021QL MDL No:
Product Description
Catalog Number:
AG0021QL
Chemical Name:
3,6,9,12-Tetraazatetradecanoic acid, 3,6,9-tris(carboxymethyl)-14-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-11-oxo-
CAS Number:
180152-82-3
Molecular Formula:
C20H29N5O11
Molecular Weight:
515.4712
IUPAC Name:
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
InChI:
InChI=1S/C20H29N5O11/c26-14(21-3-4-25-15(27)1-2-16(25)28)9-23(11-18(31)32)7-5-22(10-17(29)30)6-8-24(12-19(33)34)13-20(35)36/h1-2H,3-13H2,(H,21,26)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChI Key:
RWDIQDVCYXIARI-UHFFFAOYSA-N
SMILES:
OC(=O)CN(CC(=O)NCCN1C(=O)C=CC1=O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
Properties
Complexity:
857
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.186g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
515.476g/mol
Monoisotopic Mass:
515.186g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
225A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.5
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