Cas no 37658-95-0 (3-Butenoic acid,2-amino-4-[(2R)-2-amino-3-hydroxypropoxy]-, (2S,3E)-)
![3-Butenoic acid,2-amino-4-[(2R)-2-amino-3-hydroxypropoxy]-, (2S,3E)- structure](https://ossimg.kuujia.com/scimg/38000/37658-95-0x500.png)
37658-95-0 structure
Product Name:3-Butenoic acid,2-amino-4-[(2R)-2-amino-3-hydroxypropoxy]-, (2S,3E)-
CAS No:37658-95-0
MF:C7H14N2O4
MW:190.197062015533
CID:307957
PubChem ID:6436603
Update Time:2025-04-19
3-Butenoic acid,2-amino-4-[(2R)-2-amino-3-hydroxypropoxy]-, (2S,3E)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Butenoic acid,2-amino-4-[(2R)-2-amino-3-hydroxypropoxy]-, (2S,3E)-
- (E,2S)-2-amino-4-[(2R)-2-amino-3-hydroxypropoxy]but-3-enoic acid
- RHIZOBUTOXINE
- (2S,3E)-2-AMINO-4-((2R)-2-AMINO-3-HYDROXYPROPOXY)-3-BUTENOIC ACID
- Rhizobitoxine
- 3-BUTENOIC ACID, 2-AMINO-4-((2R)-2-AMINO-3-HYDROXYPROPOXY)-, (2S,3E)
- UNII-H4JEX49O4K
- C21887
- RHIZOBITOXIN
- H4JEX49O4K
- (2S,3E)-2-Amino-4-[(2R)-2-amino-3-hydroxypropoxy]but-3-enoate
- SCHEMBL14753555
- 3-Butenoic acid, 2-amino-4-(2-amino-3-hydroxypropoxy)-, (S-(R*,S*-(E)))-
- 37658-95-0
-
- Inchi： 1S/C7H14N2O4/c8-5(3-10)4-13-2-1-6(9)7(11)12/h1-2,5-6,10H,3-4,8-9H2,(H,11,12)/b2-1+/t5-,6+/m1/s1
- InChI Key： SLUXPOIDTZWGCG-GONBATFASA-N
- SMILES： O(/C=C/[C@@H](C(=O)O)N)C[C@@H](CO)N
Computed Properties
- Exact Mass: 190.09535693g/mol
- Monoisotopic Mass: 190.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.5
- Topological Polar Surface Area: 119?2
3-Butenoic acid,2-amino-4-[(2R)-2-amino-3-hydroxypropoxy]-, (2S,3E)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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