Cas no 155239-00-2 ((1R,2S,3R,6S)-6-Aminocyclohex-4-ene-1,2,3-triol)
155239-00-2 structure
Product Name:(1R,2S,3R,6S)-6-Aminocyclohex-4-ene-1,2,3-triol
CAS No:155239-00-2
MF:C6H11NO3
MW:145.156441926956
CID:106912
Update Time:2023-08-02
(1R,2S,3R,6S)-6-Aminocyclohex-4-ene-1,2,3-triol Chemical and Physical Properties
Names and Identifiers
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- 4-Cyclohexene-1,2,3-triol,6-amino-, (1R,2S,3R,6S)-rel-
- 4-Cyclohexene-1,2,3-triol,6-amino-,(1R,2S,3R,6S)-rel-(9CI)
- 6alpha-Amino-4-cyclohexene-1beta,2beta,3alpha-triol
- rel (1S,2R,3S,6R)-6-aminocyclohex-4-ene-1,2,3-triol
- (1R,2S,3R,6S)-6-Aminocyclohex-4-ene-1,2,3-triol
-
- Inchi： 1S/C6H11NO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H,7H2/t3-,4+,5+,6-/m0/s1
- InChI Key： RAJLHDDMNNFKNT-KCDKBNATSA-N
- SMILES： O[C@@H]1[C@H](C=C[C@H]([C@@H]1O)O)N
Computed Properties
- Exact Mass: 145.074
- Monoisotopic Mass: 145.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 86.7
(1R,2S,3R,6S)-6-Aminocyclohex-4-ene-1,2,3-triol Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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