CAS
93858-85-6 Purity
96%
93858-85-6 Purity
96%
![3,3'-(4,5,6,7-Tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis[2,4-dichloro-6-hydroxybenzenesulfonic]acid](https://resource.alfa-chemistry.com/structure/93858-94-7.gif)
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Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate
CAS
93858-90-3
Catalog Number
ACM93858903
Category
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What is the molecular formula of Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?
The molecular formula is C36H112N20O48P16.
When was Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate created?
It was created on February 16, 2015.
What is the molecular weight of Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?
The molecular weight is 2089.0 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is octaazanium;[phosphonatomethyl-[2-[phosphonatomethyl-[2-[phosphonatomethyl-[2-[phosphonatomethyl-[2-[phosphonatomethyl-[2-[phosphonatomethyl(phosphonomethyl)amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]methylphosphonic acid.
What is the Canonical SMILES representation of Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?
The Canonical SMILES representation is C(CN(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].C(CN(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the hydrogen bond donor count for Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?
The hydrogen bond donor count is 16.
What is the hydrogen bond acceptor count for this compound?
The hydrogen bond acceptor count is 60.
What is the topological polar surface area of Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?
The topological polar surface area is 1040 Ų.
How many rotatable bond counts does this compound have?
The rotatable bond count is 50.
What is the formal charge of Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?
The formal charge is -16.
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