Cas no 442155-62-6 (Aspertine C)
Aspertine C structure
Product Name:Aspertine C
CAS No:442155-62-6
MF:C15H31NO2
MW:257.412144899368
CID:2087309
Update Time:2024-02-29
Aspertine C Chemical and Physical Properties
Names and Identifiers
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- Aspertine C
- CID 134714976
- (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
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- Inchi： 1S/C15H31NO2/c1-3-6-14(17)10-12-8-5-9-13(16-12)11-15(18)7-4-2/h12-18H,3-11H2,1-2H3/t12-,13-,14-,15-/m0/s1
- InChI Key： YASYAQIAFYRYBX-AJNGGQMLSA-N
- SMILES： O[C@@H](CCC)C[C@@H]1CCC[C@@H](C[C@H](CCC)O)N1
Computed Properties
- Exact Mass: 257.235479232 g/mol
- Monoisotopic Mass: 257.235479232 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 191
- 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
- XLogP3: 2.8
- Topological Polar Surface Area: 52.5
- Molecular Weight: 257.41
Experimental Properties
- Color/Form: Liquid
Aspertine C Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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