Cas no 186541-72-0 (2-(Hydroxymethyl)-3,4-piperidinediol; (2R,3S,4S)-form)
186541-72-0 structure
Product Name:2-(Hydroxymethyl)-3,4-piperidinediol; (2R,3S,4S)-form
CAS No:186541-72-0
MF:C6H13NO3
MW:147.172322034836
CID:6645691
Update Time:2024-03-01
2-(Hydroxymethyl)-3,4-piperidinediol; (2R,3S,4S)-form Chemical and Physical Properties
Names and Identifiers
-
- 3-epifagomine
- 3-epi-fagomine
- (-)-3,4-di-epi-fagomine
- Fagomine
- 3,4-di-epi-fagomine
- 2-(Hydroxymethyl)-3,4-piperidinediol; (2R,3S,4S)-form
-
- Inchi： 1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2
- InChI Key： YZNNBIPIQWYLDM-UHFFFAOYSA-N
- SMILES： OCC1C(O)C(O)CCN1
Computed Properties
- Exact Mass: 147.09
- Monoisotopic Mass: 147.09
- 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
- Topological Polar Surface Area: 72.7A^2
- XLogP3: -0.757
2-(Hydroxymethyl)-3,4-piperidinediol; (2R,3S,4S)-form Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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