Cas no 130790-29-3 (1H-Azepine-3,4,5,6-tetrol, hexahydro-, (3R,4R,5R,6S)-)
130790-29-3 structure
Product Name:1H-Azepine-3,4,5,6-tetrol, hexahydro-, (3R,4R,5R,6S)-
CAS No:130790-29-3
MF:C6H13NO4
MW:163.171722173691
CID:1230338
Update Time:2024-08-04
1H-Azepine-3,4,5,6-tetrol, hexahydro-, (3R,4R,5R,6S)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Azepine-3,4,5,6-tetrol, hexahydro-, (3R,4R,5R,6S)-
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- Inchi： 1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2
- InChI Key： MRFFNLOQLBWKPJ-UHFFFAOYSA-N
- SMILES： OC1C(O)C(O)C(O)CNC1
Computed Properties
- Exact Mass: 163.08449
Experimental Properties
- Density: 1.508±0.06 g/cm3(Predicted)
- Boiling Point: 328.6±42.0 °C(Predicted)
- PSA: 92.95
- pka: 13.54±0.70(Predicted)
1H-Azepine-3,4,5,6-tetrol, hexahydro-, (3R,4R,5R,6S)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
130790-29-3 (1H-Azepine-3,4,5,6-tetrol, hexahydro-, (3R,4R,5R,6S)-) Related Products
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