Cas no 17663-44-4 (D-Proline,3,4-dihydroxy-, (3R,4S)-rel- (9CI))
17663-44-4 structure
Product Name:D-Proline,3,4-dihydroxy-, (3R,4S)-rel- (9CI)
CAS No:17663-44-4
MF:C5H9NO4
MW:147.129261732101
CID:122480
PubChem ID:11815930
Update Time:2025-04-18
D-Proline,3,4-dihydroxy-, (3R,4S)-rel- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Proline,3,4-dihydroxy-, (3R,4S)-rel- (9CI)
- 17663-44-4
- 95341-65-4
- PS-2005
- (3S,4R)-3,4-dihydroxy-l-proline
- (2s,3s,4r)-3,4-dihydroxyproline
- L-Proline,3,4-dihydroxy-,(3S,4R)-(9ci)
- (2S,3S,4R)-3,4-dihydroxypyrrolidine-2-carboxylic acid
- J-501282
- AKOS006348545
- D-Proline, 3,4-dihydroxy-, (3R,4S)-rel- (9CI)
-
- MDL： MFCD19217563
- Inchi： 1S/C5H9NO4/c7-2-1-6-3(4(2)8)5(9)10/h2-4,6-8H,1H2,(H,9,10)/t2-,3+,4-/m1/s1
- InChI Key： HWNGLKPRXKKTPK-FLRLBIABSA-N
- SMILES： O[C@@H]1[C@@H](CN[C@@H]1C(=O)O)O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 147.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 149
- 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: -3.8
- Topological Polar Surface Area: 89.8?2
Experimental Properties
- PSA: 52.54
D-Proline,3,4-dihydroxy-, (3R,4S)-rel- (9CI) Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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