Cas no 117770-06-6 (3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, hydrochloride (1:1), (2S,3S,4R)-)
![3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, hydrochloride (1:1), (2S,3S,4R)- structure](https://ossimg.kuujia.com/scimg/118000/117770-06-6x500.png)
117770-06-6 structure
Product Name:3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, hydrochloride (1:1), (2S,3S,4R)-
CAS No:117770-06-6
MF:C6H13NO4
MW:163.171722173691
CID:144582
PubChem ID:451998
Update Time:2025-04-19
3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, hydrochloride (1:1), (2S,3S,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyrrolidinediol,2-[(1S)-1,2-dihydroxyethyl]-, hydrochloride (1:1), (2S,3S,4R)-
- 3,4-Pyrrolidinediol,2-(1,2-dihydroxyethyl)-, hydrochloride, [2S-[2a(R*),3b,4b]]- (9CI)
- 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]-, hydrochloride (1:1), (2S,3S,4R)- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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