Cas no 162990-70-7 (Acetonitrile,[(4S,6S)-6-(b-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]-,(2Z)-)
![Acetonitrile,[(4S,6S)-6-(b-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]-,(2Z)- structure](https://ossimg.kuujia.com/scimg/163000/162990-70-7x500.png)
162990-70-7 structure
Product Name:Acetonitrile,[(4S,6S)-6-(b-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]-,(2Z)-
Acetonitrile,[(4S,6S)-6-(b-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]-,(2Z)- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile,[(4S,6S)-6-(b-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]-,(2Z)-
- Acetonitrile,[6-(b-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]-,[4S-(1Z,4a,6b)]-
- Purshianin
- Purshianin (Purshia)
- 162990-70-7
- AKOS040735630
-
- Inchi： 1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1
- InChI Key： UTHVFIKQCUKKQW-RCXKYWNRSA-N
- SMILES： C(#N)/C=C1\[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)C=C\1
Computed Properties
- Exact Mass: 313.11615195g/mol
- Monoisotopic Mass: 313.11615195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 497
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.3
- Topological Polar Surface Area: 143?2
Acetonitrile,[(4S,6S)-6-(b-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]-,(2Z)- Related Literature
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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