Cas no 105507-58-2 (Phosphonic acid,(3-methyloxiranyl)-, calcium salt (1:1), (2R-trans)- (9CI))
105507-58-2 structure
Product Name:Phosphonic acid,(3-methyloxiranyl)-, calcium salt (1:1), (2R-trans)- (9CI)
CAS No:105507-58-2
MF:C3H7CaO4P
MW:178.137041330338
CID:126750
Update Time:2024-03-05
Phosphonic acid,(3-methyloxiranyl)-, calcium salt (1:1), (2R-trans)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid,(3-methyloxiranyl)-, calcium salt (1:1), (2R-trans)- (9CI)
- Phosphonic acid, (3-methyloxiranyl)-, calcium salt (1:1), (2R-trans)-
- fosfomycin calcium
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- Inchi： 1S/C3H7O4P.Ca.2H/c1-2-3(7-2)8(4,5)6;;;/h2-3H,1H3,(H2,4,5,6);;;/t2-,3-;;;/m1.../s1
- InChI Key： MGEZKFNCJQWFFO-JZNNMOPTSA-N
- SMILES： P([C@H]1O[C@@H]1C)(O)(O)=O.[Ca]
Computed Properties
- Exact Mass: 175.955
- Monoisotopic Mass: 175.955
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 127
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 75.7A^2
Experimental Properties
- Boiling Point: 342.7 °C at 760 mmHg
- Flash Point: 161 °C
- PSA: 85.53000
- LogP: 0.78530
Phosphonic acid,(3-methyloxiranyl)-, calcium salt (1:1), (2R-trans)- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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