Cas no 139626-79-2 (4-Cyclohexene-1,2,3-triol,6-amino-, (1S,2R,3R,6R)-)
139626-79-2 structure
Product Name:4-Cyclohexene-1,2,3-triol,6-amino-, (1S,2R,3R,6R)-
CAS No:139626-79-2
MF:C6H11NO3
MW:145.156441926956
CID:102121
PubChem ID:12303825
Update Time:2024-03-01
4-Cyclohexene-1,2,3-triol,6-amino-, (1S,2R,3R,6R)- Chemical and Physical Properties
Names and Identifiers
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- 4-Cyclohexene-1,2,3-triol,6-amino-, (1S,2R,3R,6R)-
- 4-Cyclohexene-1,2,3-triol,6-amino-,[1S-(1alpha,2alpha,3alpha,6beta)]-(9CI)
- 4-Cyclohexene-1,2,3-triol, 6-amino-, (1S,2R,3R,6R)-
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- Inchi： 1S/C6H11NO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H,7H2/t3-,4-,5+,6-/m1/s1
- InChI Key： RAJLHDDMNNFKNT-ARQDHWQXSA-N
- SMILES： [C@H]1(O)[C@H](N)C=C[C@@H](O)[C@H]1O
Computed Properties
- Exact Mass: 145.07389321g/mol
- Monoisotopic Mass: 145.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 86.7?2
4-Cyclohexene-1,2,3-triol,6-amino-, (1S,2R,3R,6R)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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