Cas no 117770-14-6 (3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2R,3R,4S)-)
![3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2R,3R,4S)- structure](https://ossimg.kuujia.com/scimg/118000/117770-14-6x500.png)
117770-14-6 structure
Product Name:3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2R,3R,4S)-
CAS No:117770-14-6
MF:C6H13NO4
MW:163.171722173691
CID:186537
PubChem ID:452013
Update Time:2025-04-19
3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2R,3R,4S)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2R,3R,4S)-
- (2R,3R,4S)-2-[(1S)-1,2-Dihydroxyethyl]pyrrolidine-3,4-diol
- 1,4-Dideoxy-1,4-imino-D-allitol
- D-Allitol, 1,4-dideoxy-1,4-imino
- 117770-14-6
- 3,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-, (2R-(2alpha(S*),3beta,4beta))-
-
- Inchi： 1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4-,5+,6-/m0/s1
- InChI Key： RVNSAAIWCWTCTJ-AZGQCCRYSA-N
- SMILES： O[C@H]1[C@H](CN[C@@H]1[C@H](CO)O)O
Computed Properties
- Exact Mass: 163.084
- Monoisotopic Mass: 163.084
- 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
- Topological Polar Surface Area: 93A^2
- XLogP3: -2.3
Experimental Properties
- Density: 1.492
- Boiling Point: 448.608°C at 760 mmHg
- Flash Point: 257.957°C
- Refractive Index: 1.597
3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, (2R,3R,4S)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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