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Butanoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylsulfinyl)-, (2S)- (34805-21-5)

Identification
Name:Butanoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylsulfinyl)-, (2S)-
Synonyms:N-tert-Butoxycarbonyl-L-methionineS-oxide;
CAS:34805-21-5
Molecular Formula: C10H19NO5S
Molecular Weight: 265.33
InChI: InChI=1/C10H19NO5S/c1-10(2,3)16-9(14)11-7(8(12)13)5-6-17(4)15/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-,17?/m0/s1
Molecular Structure: (C10H19NO5S) N-tert-Butoxycarbonyl-L-methionineS-oxide;
Properties
Density:1.26 g/cm3
Refractive index:1.521
Specification:

The Boc-Met(O)-OH is an organic compound with the formula C10H19NO5S. The systematic name of this product is (2S)-2-[(tert-butoxycarbonyl)amino]-4-(methylsulfinyl)butanoic acid. With the CAS registry number 34805-21-5, it is also named as Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylsulfinyl)-, (2S)-; Boc-L-methionine sulfoxide.

The product's categories are amino acid derivatives, amino acids, methionine [Met, M], Boc-amino acids and derivative and Boc-amino acid series. It must be stored at RT. and avoid direct sunshine. Boc-Met(O)-OH can be used as pharmaceutical intermediates.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.521; (11)Molar Refractivity: 64.09 cm3; (12)Molar Volume: 210.4 cm3; (13)Polarizability: 25.41×10-24 cm3; (14)Surface Tension: 53 dyne/cm; (15)Enthalpy of Vaporization: 85.35 kJ/mol; (16)Vapour Pressure: 9.48E-12 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: O=S(C)CC[C@H](NC(=O)OC(C)(C)C)C(O)=O; InChI: InChI=1/C10H19NO5S/c1-10(2,3)16-9(14)11-7(8(12)13)5-6-17(4)15/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-,17/m0/s1; InChIKey: FVSDTYGQCVACMH-ISJKBYAMBG. Boc-Met(O)-OH has many suppliers, such as GL Biochem (Shanghai) Ltd., Chengdu Chempep New Technology Co., Ltd., SIAM Chemicals, Inc. and Sichuan Emei Ronggao Biochemicals Co., Ltd.. The price of this product changes with the market.

Storage Temperature: Store at RT.
Safety Data
 

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