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CAS No.: | 6027-13-0 |
---|---|
Name: | L-Homocysteine |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C4H9NO2S |
Molecular Weight: | 135.187 |
Synonyms: | 查看更多英文别名查看更多英文别名 | "> (S)-2-AMINO-4-MERCAPTOBUTANOIC ACID;H-Hcys-OH;D,L-homocysteine;(2S)-2-aMino-4-sulfanylbutanoic acid;L-2-Amino-4-Mercapto-butyric acid;HOMO-CYS;Butanoic acid, 2-amino-4-mercapto-, (S)-;(S)-HOMOCYSTEINE;D,L-homocystine;(S)-2-Amino-4-mercaptobutyric acid;
EINECS: | 227-891-0 |
Density: | 1.259 g/cm3 |
Melting Point: | 232°C |
Boiling Point: | 299.691 °C at 760 mmHg |
Flash Point: | 135.048 °C |
Appearance: | Colourless or nearly colourless solid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 22-24/25 |
PSA: | 102.12000 |
LogP: | 0.41850 |
L-homocysteine thiolactone hydrochloride
L-homocysteine
Conditions | Yield |
---|---|
With sodium hydroxide at 37℃; for 0.0833333h; | 96% |
With water Alkaline conditions; | |
Alkaline conditions; |
Conditions | Yield |
---|---|
With ammonia; sodium at -60℃; for 0.5h; | 93% |
With ammonia; sodium | |
With ammonia; sodium; ammonium chloride at -80℃; for 0.666667h; | |
Stage #1: L-methionine With ammonia; sodium at -78℃; Inert atmosphere; Stage #2: With ammonium acetate In ammonia Inert atmosphere; | |
With sodium In ethanol at 0℃; for 8h; Solvent; Reagent/catalyst; Temperature; |
(S)-1,3-thiazane-4-carboxylic acid
L-homocysteine
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; triethylamine In ethanol for 1h; Heating; | 91.9% |
L-homocystine
L-homocysteine
Conditions | Yield |
---|---|
With ammonia; sodium Reduction; | 90% |
With ammonia; sodium | |
With sodium In ammonia at -50℃; | |
With diothiothreitol at 30℃; for 5h; | |
With DL-dithiothreitol for 3.5h; pH=12; |
L-homocysteine
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; triethylamine In ethanol at 78℃; for 1.41667h; pH=6 - 7; | 81.5% |
L-homocysteine
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; triethylamine In ethanol for 1h; Ring cleavage; elimination; Heating; | 78.4% |
(2S)-2-amino-4-(tritylsulfanyl)butanoic acid
L-homocysteine
Conditions | Yield |
---|---|
With ammonia; sodium at -33℃; for 1h; Reduction; | 52% |
Conditions | Yield |
---|---|
With ammonia; sodium |
L-homocystine
GLUTATHIONE
A
L-homocysteine
B
(S)-2-Amino-4-[(R)-2-((S)-3-amino-3-carboxy-propyldisulfanyl)-1-(carboxymethyl-carbamoyl)-ethylcarbamoyl]-butyric acid
Conditions | Yield |
---|---|
With sodium chloride In water-d2 at 25℃; Equilibrium constant; various pD values; |
GLUTATHIONE
(S)-2-Amino-4-[(R)-2-((S)-3-amino-3-carboxy-propyldisulfanyl)-1-(carboxymethyl-carbamoyl)-ethylcarbamoyl]-butyric acid
A
Oxidized glutathione
B
L-homocysteine
Conditions | Yield |
---|---|
With sodium chloride In water-d2 at 25℃; Equilibrium constant; various pD values; |
The L-Homocysteine, with CAS registry number 6027-13-0, belongs to the following product category: Amino Acids. It has the systematic name of L-homocysteine. This chemical is a kind of colourless or nearly colourless solid. And the chemical formula of this chemical is C4H9NO2S.
Physical properties of L-Homocysteine: (1)ACD/LogP: 0.20; (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: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 102.12 Å2; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 33.535 cm3; (13)Molar Volume: 107.29 cm3; (14)Polarizability: 13.294×10-24cm3; (15)Surface Tension: 54.387 dyne/cm; (16)Density: 1.26 g/cm3; (17)Flash Point: 135.048 °C; (18)Enthalpy of Vaporization: 59.366 kJ/mol; (19)Boiling Point: 299.691 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by (R)-tetrahydro-[1,3]thiazine-4-carboxylic acid. This reaction will need reagents hydroxylamine hydrochloride, triethylamine and solvent ethanol. The reaction time is 1 hour(s). The yield is about 92.6%.
Uses of L-Homocysteine: it can be used to produce (R,R)-bis-(3-amino-3-carboxy-propyl)-disulfide. This reaction will need reagent 30% aq. H2O2. The reaction time is 8 hour(s). The yield is about 95.5%.
You can still convert the following datas into molecular structure:
(1)SMILES: C(CS)[C@@H](C(=O)O)N
(2)InChI: InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
(3)InChIKey: FFFHZYDWPBMWHY-VKHMYHEABC
(4)Std. InChI: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
(5)Std. InChIKey: FFFHZYDWPBMWHY-VKHMYHEASA-N