Cas no 921199-28-2 (3,4-Piperidinediol, 2-(hydroxymethyl)-, (2S,3R,4S)-)
921199-28-2 structure
Product Name:3,4-Piperidinediol, 2-(hydroxymethyl)-, (2S,3R,4S)-
CAS No:921199-28-2
MF:C6H13NO3
MW:147.172322034836
CID:745488
PubChem ID:12085980
Update Time:2024-03-01
3,4-Piperidinediol, 2-(hydroxymethyl)-, (2S,3R,4S)- Chemical and Physical Properties
Names and Identifiers
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- 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2S,3R,4S)-
- BDBM50379034
- (2S)-2beta-(Hydroxymethyl)piperidine-3beta,4beta-diol
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- Inchi： 1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6+/m0/s1
- InChI Key： YZNNBIPIQWYLDM-HCWXCVPCSA-N
- SMILES： O[C@H]1[C@H](CCN[C@H]1CO)O
Computed Properties
- Exact Mass: 147.08954328g/mol
- Monoisotopic Mass: 147.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 109
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 72.7
3,4-Piperidinediol, 2-(hydroxymethyl)-, (2S,3R,4S)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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