Cas no 65870-46-4 ((2r,3s)-2,3-dihydroxy-3-phenylpropionic acid methyl ester)
65870-46-4 structure
Product Name:(2r,3s)-2,3-dihydroxy-3-phenylpropionic acid methyl ester
CAS No:65870-46-4
MF:C10H12O4
MW:196.199883460999
CID:962712
PubChem ID:9920630
Update Time:2025-04-19
(2r,3s)-2,3-dihydroxy-3-phenylpropionic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- (2r,3s)-2,3-dihydroxy-3-phenylpropionic acid methyl ester
- METHYL (2R,3S)-(+)-2,3-DIHYDROXY-3-PHENYLPROPIONATE
- Nonanoic acid,3-hydroxy-2-methylene-,methyl ester
- Benzenepropanoic acid,a,b-dihydroxy-,methyl ester,(ar,bs)-
- J-004848
- methyl (2r,3s)-2,3-dihydroxy-3-phenylpropanoate
- Methyl (2R,3S)-(+)-2,3-dihydroxy-3-phenyl propionate
- (2R,3S)-Dihydroxy-3-phenyl-propionic acid methyl ester
- SCHEMBL8571791
- 65870-46-4
- (2R,3S)-Methyl 2,3-dihydroxy-3-phenylpropanoate
- 122743-18-4
- Methyl (2R,3S)-(+)-2,3-dihydroxy-3-phenylpropionate, 99%
- DB-297736
- MFCD06797453
- methyl (2S,3S)-2,3-dihydroxy-3-phenylpropanoate
-
- Inchi： 1S/C10H12O4/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h2-6,8-9,11-12H,1H3/t8-,9+/m0/s1
- InChI Key： IXDRYSIPXMREGK-DTWKUNHWSA-N
- SMILES： O[C@@H](C1C=CC=CC=1)[C@H](C(=O)OC)O
Computed Properties
- Exact Mass: 196.07400
- Monoisotopic Mass: 196.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76000
- LogP: 0.25390
(2r,3s)-2,3-dihydroxy-3-phenylpropionic acid methyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
65870-46-4 ((2r,3s)-2,3-dihydroxy-3-phenylpropionic acid methyl ester) Related Products
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