Cas no 93858-92-5 (Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,decaammonium salt (9CI))
93858-92-5 structure
Product Name:Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,decaammonium salt (9CI)
CAS No:93858-92-5
MF:C18H82N16O24P8
MW:1154.72656965256
CID:806099
PubChem ID:44146332
Update Time:2025-04-19
Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,decaammonium salt (9CI) Chemical and Physical Properties
Names and Identifiers
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- Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,decaammonium salt (9CI)
- decaammonium [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate
- Decaammonium (2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl)bisphosphonate
- 93858-92-5
- EINECS 299-327-1
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- Inchi: 1S/C18H52N6O24P8.10H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);10*1H3
- InChI Key: UNXOCSVEXXRGTE-UHFFFAOYSA-N
- SMILES: P(CN(CCN(CP(=O)([O-])O)CCN(CP(=O)([O-])O)CP(=O)([O-])O)CCN(CP(=O)([O-])O)CCN(CP(=O)([O-])O)CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])(=O)([O-])O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
Computed Properties
- Exact Mass: 1154.3588835g/mol
- Monoisotopic Mass: 1154.3588835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 16
- Hydrogen Bond Acceptor Count: 30
- Heavy Atom Count: 66
- Rotatable Bond Count: 29
- Complexity: 1510
- Covalently-Bonded Unit Count: 11
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 518?2
Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,decaammonium salt (9CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
93858-92-5 (Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,decaammonium salt (9CI)) Related Products
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