Cas no 222974-47-2 (L-Proline,1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecen-1-yl]-)
![L-Proline,1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecen-1-yl]- structure](https://ossimg.kuujia.com/scimg/223000/222974-47-2x500.png)
222974-47-2 structure
Product Name:L-Proline,1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecen-1-yl]-
CAS No:222974-47-2
MF:C19H33NO4
MW:339.469626188278
CID:262016
Update Time:2024-03-01
L-Proline,1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecen-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- L-Proline,1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecen-1-yl]-
- (-)-Tumonoic acidA
- L-Proline,1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecenyl]- (9CI)
- Tumonoic acid A
- L-Proline, 1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecen-1-yl]-
- Tumonic acid A
- 1-[(2R,3S,4E)-3-Hydroxy-2,4-dimethyl-4-dodecenoyl]-L-proline
- (-)-Tumonoic acid A
-
- Inchi： 1S/C19H33NO4/c1-4-5-6-7-8-9-11-14(2)17(21)15(3)18(22)20-13-10-12-16(20)19(23)24/h11,15-17,21H,4-10,12-13H2,1-3H3,(H,23,24)/b14-11+/t15-,16+,17-/m1/s1
- InChI Key： JFFANXXIOVCBBG-PYIPWEHNSA-N
- SMILES： C(O)(=O)[C@@H]1CCCN1C(=O)[C@H](C)[C@H](O)/C(/C)=C/CCCCCCC
Computed Properties
- Exact Mass: 339.24109
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- XLogP3: 3.659
Experimental Properties
- Density: 1.084±0.06 g/cm3(Predicted)
- Boiling Point: 528.0±50.0 °C(Predicted)
- PSA: 77.84
- pka: 3.60±0.20(Predicted)
L-Proline,1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecen-1-yl]- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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