Cas no 128638-14-2 (Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)-)
128638-14-2 structure
Product Name:Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)-
CAS No:128638-14-2
MF:C17H20N2O3
MW:300.352304458618
CID:145499
Update Time:2024-01-25
Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)- Chemical and Physical Properties
Names and Identifiers
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- Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)-
- Salacin
- Salacine
- Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S-trans)-
- Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde, 1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)-
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- Inchi: 1S/C17H20N2O3/c1-2-12(21)7-8-15-17(9-10-19(15)11-20)13-5-3-4-6-14(13)18-16(17)22/h3-6,11,15H,2,7-10H2,1H3,(H,18,22)/t15-,17-/m0/s1
- InChI Key: YTWQDQXQXNAHQJ-RDJZCZTQSA-N
- SMILES: N1C2=C(C=CC=C2)[C@]2(CCN(C=O)[C@H]2CCC(=O)CC)C1=O
Computed Properties
- Exact Mass: 300.1475
Experimental Properties
- Density: 1.25±0.1 g/cm3(Predicted)
- Boiling Point: 556.3±50.0 °C(Predicted)
- PSA: 66.48
- pka: 13.30±0.40(Predicted)
Spiro[3H-indole-3,3'-pyrrolidine]-1'-carboxaldehyde,1,2-dihydro-2-oxo-2'-(3-oxopentyl)-, (2'S,3S)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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