Cas no 799271-77-5 (Pentanoic acid, 5-phosphono-, 1-(2-hydroxyethyl) ester)
799271-77-5 structure
Product Name:Pentanoic acid, 5-phosphono-, 1-(2-hydroxyethyl) ester
CAS No:799271-77-5
MF:C7H15O6P
MW:226.164163827896
CID:531417
PubChem ID:71402455
Update Time:2025-04-19
Pentanoic acid, 5-phosphono-, 1-(2-hydroxyethyl) ester Chemical and Physical Properties
Names and Identifiers
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- Pentanoic acid, 5-phosphono-, 1-(2-hydroxyethyl) ester
- [5-(2-hydroxyethoxy)-5-oxopentyl]phosphonic acid
- 799271-77-5
- DTXSID30823421
-
- Inchi: 1S/C7H15O6P/c8-4-5-13-7(9)3-1-2-6-14(10,11)12/h8H,1-6H2,(H2,10,11,12)
- InChI Key: RDXWZOVMDPLASA-UHFFFAOYSA-N
- SMILES: P(CCCCC(=O)OCCO)(=O)(O)O
Computed Properties
- Exact Mass: 226.06062519g/mol
- Monoisotopic Mass: 226.06062519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.7
- Topological Polar Surface Area: 104?2
Pentanoic acid, 5-phosphono-, 1-(2-hydroxyethyl) ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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