Cas no 637771-88-1 (3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4S)-(9CI))
637771-88-1 structure
Product Name:3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4S)-(9CI)
CAS No:637771-88-1
MF:C6H13NO3
MW:147.172322034836
CID:1020103
PubChem ID:12085981
Update Time:2025-04-20
3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4S)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4S)-(9CI)
- SCHEMBL14627660
- CHEMBL1818435
- BDBM50379031
- 637771-88-1
-
- 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: 147.09000
- 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
Experimental Properties
- PSA: 72.72000
- LogP: -1.60880
3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4S)-(9CI) 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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
637771-88-1 (3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4S)-(9CI)) Related Products
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