Cas no 63370-13-8 (Hexanoic acid, 3-hydroxy-3-methyl-6-phosphono-)
63370-13-8 structure
Product Name:Hexanoic acid, 3-hydroxy-3-methyl-6-phosphono-
CAS No:63370-13-8
MF:C7H15O6P
MW:226.164163827896
CID:426720
PubChem ID:23452327
Update Time:2025-04-19
Hexanoic acid, 3-hydroxy-3-methyl-6-phosphono- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 3-hydroxy-3-methyl-6-phosphono-
- 3-hydroxy-3-methyl-6-phosphonohexanoic acid
- 3-Hydroxy-3-methyl-6-phosphohexanoic acid
- SCHEMBL11310701
- GTPL3202
- Q27073729
- PD049217
- 63370-13-8
- DTXSID80634286
- DTXCID90585038
-
- Inchi： 1S/C7H15O6P/c1-7(10,5-6(8)9)3-2-4-14(11,12)13/h10H,2-5H2,1H3,(H,8,9)(H2,11,12,13)
- InChI Key： XRCIRZGXKWCWNQ-UHFFFAOYSA-N
- SMILES： P(CCCC(C)(CC(=O)O)O)(=O)(O)O
Computed Properties
- Exact Mass: 226.06065
- Monoisotopic Mass: 226.06062519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 247
- 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: -1.8
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 115.06
Hexanoic acid, 3-hydroxy-3-methyl-6-phosphono- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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