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149471-20-5 | 5,10,15,21,26-Pentaazahentriacontanoic acid, 31-amino-5,15,26-trihydroxy-4,11,14,22,25-pentaoxo-
CAS No: 149471-20-5 Catalog No: AG001LQ1 MDL No:
Product Description
Catalog Number:
AG001LQ1
Chemical Name:
5,10,15,21,26-Pentaazahentriacontanoic acid, 31-amino-5,15,26-trihydroxy-4,11,14,22,25-pentaoxo-
CAS Number:
149471-20-5
Molecular Formula:
C26H48N6O10
Molecular Weight:
604.6935
IUPAC Name:
4-[4-[[4-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid
InChI:
InChI=1S/C26H48N6O10/c27-15-3-1-6-18-30(40)23(35)11-9-21(33)28-16-4-2-7-19-31(41)24(36)12-10-22(34)29-17-5-8-20-32(42)25(37)13-14-26(38)39/h40-42H,1-20,27H2,(H,28,33)(H,29,34)(H,38,39)
InChI Key:
LMIPZWALIMBLJE-UHFFFAOYSA-N
SMILES:
NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCN(C(=O)CCC(=O)O)O)O)O
Properties
Complexity:
844
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
604.343g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
604.702g/mol
Monoisotopic Mass:
604.343g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
243A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.3
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