Cas no 126495-84-9 (Butanamide,3,4-dihydroxy-, (3S)-)
126495-84-9 structure
Product Name:Butanamide,3,4-dihydroxy-, (3S)-
CAS No:126495-84-9
MF:C4H9NO3
MW:119.119161367416
CID:137509
PubChem ID:18471709
Update Time:2025-04-19
Butanamide,3,4-dihydroxy-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide,3,4-dihydroxy-, (3S)-
- (S)-3,4-DIHYDROXYBUTYRAMIDE
- 3,4-dihydroxybutanamide
- 3.4-dihydroxybutyramide
- (S)-3,4-DIHYDROXYBUTANAMIDE
- BUTANAMIDE, 3,4-DIHYDROXY-, (S)
- DTXSID50594181
- WPOHUQOEJUSLGO-UHFFFAOYSA-N
- SCHEMBL2130500
- FT-0708203
- 126495-84-9
-
- Inchi： 1S/C4H9NO3/c5-4(8)1-3(7)2-6/h3,6-7H,1-2H2,(H2,5,8)
- InChI Key： WPOHUQOEJUSLGO-UHFFFAOYSA-N
- SMILES： OC(CO)CC(N)=O
Computed Properties
- Exact Mass: 119.05800
- Monoisotopic Mass: 119.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 83.4
- 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: -2.2
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 83.55000
- LogP: -1.08470
Butanamide,3,4-dihydroxy-, (3S)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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