Cas no 475630-67-2 (3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4R)-(9CI))
475630-67-2 structure
Product Name:3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4R)-(9CI)
CAS No:475630-67-2
MF:C6H13NO3
MW:147.172322034836
CID:1020102
PubChem ID:11389465
Update Time:2025-04-20
3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4R)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4R)-(9CI)
- 475630-67-2
- SCHEMBL24547700
- CHEMBL1818436
- BDBM50350760
-
- 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-JKUQZMGJSA-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?2
3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4R)-(9CI) Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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