Cas no 121249-47-6 (Butanoic acid,2-amino-4-[(R)-methylsulfinyl]-, (2R)-rel-)
![Butanoic acid,2-amino-4-[(R)-methylsulfinyl]-, (2R)-rel- structure](https://ossimg.kuujia.com/scimg/121500/121249-47-6x500.png)
121249-47-6 structure
Product Name:Butanoic acid,2-amino-4-[(R)-methylsulfinyl]-, (2R)-rel-
CAS No:121249-47-6
MF:C5H11NO3S
MW:165.210740327835
CID:104776
Update Time:2024-01-24
Butanoic acid,2-amino-4-[(R)-methylsulfinyl]-, (2R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-amino-4-[(R)-methylsulfinyl]-, (2R)-rel-
- Butanoic acid, 2-amino-4-(methylsulfinyl)-, (R*,R*)- (9CI)
- D-Methionine, S-oxide, [S(R)]-rel-
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- Inchi： 1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m1/s1
- InChI Key： QEFRNWWLZKMPFJ-PHNJOPHVSA-N
- SMILES： C(O)(=O)[C@H](N)CC[S@@](C)=O
Computed Properties
- Exact Mass: 165.04603
- Monoisotopic Mass: 165.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 148
- 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
- XLogP3: _4.1
- Topological Polar Surface Area: 99.6A^2
Experimental Properties
- Density: 1.385±0.06 g/cm3(Predicted)
- Boiling Point: 434.3±40.0 °C(Predicted)
- PSA: 80.39
- pka: 2.14±0.10(Predicted)
Butanoic acid,2-amino-4-[(R)-methylsulfinyl]-, (2R)-rel- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
121249-47-6 (Butanoic acid,2-amino-4-[(R)-methylsulfinyl]-, (2R)-rel-) Related Products
- 454-41-1(H-DL-MET(O)-OH)
- 4241-59-2((2S)-2-Amino-4-(methylsulfinyl)butanoic acid)
- 820-10-0(DL-Methionine sulfone)
- 62697-73-8(Methionine sulfoxide)
- 41486-92-4(H-D-Met(O2)-OH)
- 7314-32-1(L-Methionine Sulfone)
- 1118-85-0(Butanoic acid, 2-amino-4-(methylsulfonyl)-)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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