Cas no 108347-88-2 (Propanoic acid,2-hydroxy-3-(phosphonooxy)-, calcium salt (1:1), (2R)-)
108347-88-2 structure
Product Name:Propanoic acid,2-hydroxy-3-(phosphonooxy)-, calcium salt (1:1), (2R)-
CAS No:108347-88-2
MF:C6H8Ca3O14P2
MW:486.300842285156
CID:127976
Update Time:2024-03-05
Propanoic acid,2-hydroxy-3-(phosphonooxy)-, calcium salt (1:1), (2R)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-hydroxy-3-(phosphonooxy)-, calcium salt (1:1), (2R)-
- D(-)3-PHOSPHOGLYCERIC ACID CALCIUM
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- Inchi： 1S/2C3H7O7P.3Ca/c2*4-2(3(5)6)1-10-11(7,8)9;;;/h2*2,4H,1H2,(H,5,6)(H2,7,8,9);;;/q;;3*+2/p-6
- InChI Key： BGLWIHNMTRTMIP-UHFFFAOYSA-H
- SMILES： [Ca+2].[Ca+2].[Ca+2].C([O-])(=O)C(COP([O-])([O-])=O)O.C([O-])(=O)C(COP([O-])([O-])=O)O
Computed Properties
- Exact Mass: 223.93985
- Monoisotopic Mass: 485.827
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 165
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 266A^2
Experimental Properties
- PSA: 129.95
Propanoic acid,2-hydroxy-3-(phosphonooxy)-, calcium salt (1:1), (2R)- 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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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