Cas no 72286-22-7 (L-Alanine, N-acetyl-3-[(phenylmethyl)sulfinyl]-)
![L-Alanine, N-acetyl-3-[(phenylmethyl)sulfinyl]- structure](https://ossimg.kuujia.com/scimg/72500/72286-22-7x500.png)
72286-22-7 structure
Product Name:L-Alanine, N-acetyl-3-[(phenylmethyl)sulfinyl]-
CAS No:72286-22-7
MF:C12H15NO4S
MW:269.31680226326
CID:544192
PubChem ID:71404447
Update Time:2025-04-19
L-Alanine, N-acetyl-3-[(phenylmethyl)sulfinyl]- Chemical and Physical Properties
Names and Identifiers
-
- L-Alanine, N-acetyl-3-[(phenylmethyl)sulfinyl]-
- (2R)-2-acetamido-3-benzylsulfinylpropanoic acid
- N-Acetyl-3-(phenylmethanesulfinyl)-L-alanine
- DTXSID40825294
- 72286-22-7
-
- Inchi： 1S/C12H15NO4S/c1-9(14)13-11(12(15)16)8-18(17)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-,18?/m0/s1
- InChI Key： WSOCUVDAIZMOCD-FAQQKDIKSA-N
- SMILES： S(CC1C=CC=CC=1)(C[C@@H](C(=O)O)NC(C)=O)=O
Computed Properties
- Exact Mass: 269.07225
- Monoisotopic Mass: 269.07217913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 103?2
Experimental Properties
- PSA: 83.47
L-Alanine, N-acetyl-3-[(phenylmethyl)sulfinyl]- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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