Cas no 220264-29-9 (1-Pyrrolidinecarboxaldehyde,2,5-bis(hydroxymethyl)-, (2R,5S)-rel-)
220264-29-9 structure
Product Name:1-Pyrrolidinecarboxaldehyde,2,5-bis(hydroxymethyl)-, (2R,5S)-rel-
CAS No:220264-29-9
MF:C7H13NO3
MW:159.183022260666
CID:243875
PubChem ID:121226801
Update Time:2025-04-19
1-Pyrrolidinecarboxaldehyde,2,5-bis(hydroxymethyl)-, (2R,5S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyrrolidinecarboxaldehyde,2,5-bis(hydroxymethyl)-, (2R,5S)-rel-
- 1-Pyrrolidinecarboxaldehyde, 2,5-bis(hydroxymethyl)-, (2R,5S)-rel- (9CI)
- 220264-29-9
- (2R,5S)-2,5-Bis(hydroxymethyl)pyrrolidine-1-carbaldehyde
-
- Inchi： 1S/C7H13NO3/c9-3-6-1-2-7(4-10)8(6)5-11/h5-7,9-10H,1-4H2/t6-,7+
- InChI Key： ZXZXYVOTWCBUHG-KNVOCYPGSA-N
- SMILES： OC[C@H]1CC[C@@H](CO)N1C=O
Computed Properties
- Exact Mass: 159.09
- Monoisotopic Mass: 159.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.8A^2
- XLogP3: -1
1-Pyrrolidinecarboxaldehyde,2,5-bis(hydroxymethyl)-, (2R,5S)-rel- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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