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129009-83-2 | 15-Oxa-3,6,9,12-tetraazahexadecanoic acid, 6,9-bis(carboxymethyl)-3-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-11-oxo-
CAS No: 129009-83-2 Catalog No: AG000YS4 MDL No:
Product Description
Catalog Number:
AG000YS4
Chemical Name:
15-Oxa-3,6,9,12-tetraazahexadecanoic acid, 6,9-bis(carboxymethyl)-3-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-11-oxo-
CAS Number:
129009-83-2
Molecular Formula:
C20H37N5O10
Molecular Weight:
507.5353
IUPAC Name:
2-[bis[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
InChI:
InChI=1S/C20H37N5O10/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33)
InChI Key:
AXFGWXLCWCNPHP-UHFFFAOYSA-N
SMILES:
COCCNC(=O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)NCCOC)CC(=O)O
UNII:
N78PI4C683
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.254g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
507.541g/mol
Monoisotopic Mass:
507.254g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.3
Literature
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