Cas no 126988-90-7 (1,6,11,16,21,26-Hexaazacyclohentriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy-)
126988-90-7 structure
Product Name:1,6,11,16,21,26-Hexaazacyclohentriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy-
CAS No:126988-90-7
MF:C25H44N6O9
MW:572.651666641235
CID:171090
PubChem ID:14671619
Update Time:2024-03-01
1,6,11,16,21,26-Hexaazacyclohentriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,6,11,16,21,26-Hexaazacyclohentriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy-
- DesferrioxamineX1
- Proferrioxamine X1
- 1,6,11,16,21,26-Hexaazacyclohentriacontane-2,5,12,15,22,25-hexone, 1,11,21-trihydroxy-
- BRD-K82642944-001-01-2
- Desferrioxamine X1
- 1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone
- CHEBI:182834
- 126988-90-7
- NCGC00180261-01
- ACon1_001673
- AKOS040736065
- NS00097210
-
- Inchi： 1S/C25H44N6O9/c32-20-8-12-24(36)30(39)18-6-4-16-28-22(34)10-13-25(37)31(40)19-7-3-15-27-21(33)9-11-23(35)29(38)17-5-1-2-14-26-20/h38-40H,1-19H2,(H,26,32)(H,27,33)(H,28,34)
- InChI Key： YEUGMACLLZSLDG-UHFFFAOYSA-N
- SMILES： N1(O)CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O
Computed Properties
- Exact Mass: 572.31697700g/mol
- Monoisotopic Mass: 572.31697700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 40
- Rotatable Bond Count: 0
- Complexity: 842
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.9
- Topological Polar Surface Area: 209?2
1,6,11,16,21,26-Hexaazacyclohentriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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