Cas no 65402-32-6 (Butanedioic acid, 2-phosphono-2-(2-phosphonoethyl)-)
65402-32-6 structure
Product Name:Butanedioic acid, 2-phosphono-2-(2-phosphonoethyl)-
CAS No:65402-32-6
MF:C6H12O10P2
MW:306.101004600525
CID:399500
PubChem ID:12543052
Update Time:2025-04-19
Butanedioic acid, 2-phosphono-2-(2-phosphonoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, 2-phosphono-2-(2-phosphonoethyl)-
- 2-phosphono-2-(2-phosphonoethyl)butanedioic acid
- 65402-32-6
- SCHEMBL9490824
- DTXSID30501934
-
- Inchi： 1S/C6H12O10P2/c7-4(8)3-6(5(9)10,18(14,15)16)1-2-17(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)(H2,14,15,16)
- InChI Key： FVELLNXPMFCHQJ-UHFFFAOYSA-N
- SMILES： P(C(C(=O)O)(CC(=O)O)CCP(=O)(O)O)(=O)(O)O
Computed Properties
- Exact Mass: 305.99056
- Monoisotopic Mass: 305.99057057g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 432
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.1
- Topological Polar Surface Area: 190?2
Experimental Properties
- PSA: 189.66
Butanedioic acid, 2-phosphono-2-(2-phosphonoethyl)- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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