Cas no 115509-95-0 (3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2S,3S,4R)-)
![3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2S,3S,4R)- structure](https://ossimg.kuujia.com/scimg/116000/115509-95-0x500.png)
115509-95-0 structure
Product Name:3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2S,3S,4R)-
CAS No:115509-95-0
MF:C6H13NO4
MW:163.171722173691
CID:200688
PubChem ID:451998
Update Time:2025-04-19
3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2S,3S,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2S,3S,4R)-
- 1,4-Dideoxy-1,4-imino-D-tallitol
- SCHEMBL9495785
- 1,4-Dideoxy-1,4-imino-D-mannitol
- 3,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-, [2S-[2a(R*),3b,4b]]-
- 115509-95-0
- (2S,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
- 117770-06-6
- 3,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-, (2S-(2a(R*),3b,4b))-
-
- Inchi： 1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4-,5+,6-/m1/s1
- InChI Key： RVNSAAIWCWTCTJ-ARQDHWQXSA-N
- SMILES： O[C@@H]1[C@@H](CN[C@H]1[C@@H](CO)O)O
Computed Properties
- Exact Mass: 163.08445790g/mol
- Monoisotopic Mass: 163.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.3
- Topological Polar Surface Area: 93?2
3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2S,3S,4R)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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