Cas no 2598-44-9 (Homocysteine,S-(2-hydroxyethyl)-)
2598-44-9 structure
Product Name:Homocysteine,S-(2-hydroxyethyl)-
CAS No:2598-44-9
MF:C6H13NO3S
MW:179.237320661545
CID:270103
PubChem ID:6451421
Update Time:2025-04-19
Homocysteine,S-(2-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Homocysteine,S-(2-hydroxyethyl)-
- SCHEMBL6500979
- DTXSID20948879
- 2598-44-9
- 2-(amino)-4-[(2-hydroxyethyl)sulfanyl]butanoic acid
- S-(2-Hydroxyethyl)homocysteine
- S-(2-Hydroxyethyl)-DL-homocysteine
- DL-Homocysteine, S-(2-hydroxyethyl)-
- DL-2-Amino-4-((2-hydroxyethyl)thio)butyric acid
- 2-(amino)4-[(2-hydroxyethyl)sulfanyl]butanoic acid
- WKECILUJKOJNGE-UHFFFAOYSA-N
- Butyric acid, 2-amino-4-((2-hydroxyethyl)thio)-, DL-
-
- Inchi： 1S/C6H13NO3S/c7-5(6(9)10)1-3-11-4-2-8/h5,8H,1-4,7H2,(H,9,10)
- InChI Key： WKECILUJKOJNGE-UHFFFAOYSA-N
- SMILES： S(CCO)CCC(C(=O)O)N
Computed Properties
- Exact Mass: 179.06169
- Monoisotopic Mass: 179.06161445g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 120
- 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: -2.6
- Topological Polar Surface Area: 109?2
Experimental Properties
- PSA: 83.55
Homocysteine,S-(2-hydroxyethyl)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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