Cas no 733011-73-9 (9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)-)
733011-73-9 structure
Product Name:9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)-
CAS No:733011-73-9
MF:C10H16O4
MW:200.231643676758
CID:559407
Update Time:2024-03-05
9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)- Chemical and Physical Properties
Names and Identifiers
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- 9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)-
- 9-Oxabicyclo[4.2.1]nonane-2,5-diol,monoacetate, (1S,2S,5R,6R)- (9CI)
- 9-Oxabicyclo[4.2.1]nonane-2,5-diol,monoacetate,(1S,2S,5R,6R)-(9CI)
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- Inchi: 1S/C10H16O4/c1-6(11)13-9-3-2-7(12)8-4-5-10(9)14-8/h7-10,12H,2-5H2,1H3/t7-,8-,9+,10+/m1/s1
- InChI Key: SJSFSIZPNOCKHN-IMSYWVGJSA-N
- SMILES: [C@]12([H])O[C@]([H])(CC1)[C@H](O)CC[C@@H]2OC(=O)C
Computed Properties
- Exact Mass: 200.105
- Monoisotopic Mass: 200.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 228
- 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: 55.8A^2
9-Oxabicyclo[4.2.1]nonane-2,5-diol,2-acetate, (1S,2S,5R,6R)- Related Literature
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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