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6027-15-2

Basic Information
CAS No.: 6027-15-2
Name: D-HOMOCYSTINE
Article Data: 15
Molecular Structure:
Molecular Structure of 6027-15-2 (D-HOMOCYSTINE)
Formula: C8H16N2O4S2
Molecular Weight: 268.358
Synonyms: Butanoicacid, 4,4'-dithiobis[2-amino-, [R-(R*,R*)]-;Butyric acid,4,4'-dithiobis[2-amino-, D- (8CI);NSC 206271;
Density: 1.444 g/cm3
Boiling Point: 507.58 °C at 760 mmHg
Flash Point: 260.775 °C
PSA: 177.24000
LogP: 1.37240
Synthetic route
Conditions
ConditionsYield
With dihydrogen peroxide for 8h;95.5%
With dopamine In aq. buffer pH=5; Kinetics; Reagent/catalyst; Electrochemical reaction;
147331-82-6

(R)-1,3-thiazane-4-carboxylic acid

6027-15-2

D-homocystine

Conditions
ConditionsYield
With dihydrogen peroxide49%
13073-47-7

S-benzyl-D-homocysteine

6027-15-2

D-homocystine

Conditions
ConditionsYield
With ammonia; sodium Einwirkung von Luft auf das gebildete Natriumsalz des D-Homocysteins in wss.Loesung unter Zusatz von FeCl3;
672-15-1

L-homoserine

6027-15-2

D-homocystine

Conditions
ConditionsYield
With sodium hydrogensulfide In ethanol
348-67-4

D-methionine

6027-15-2

D-homocystine

Conditions
ConditionsYield
Stage #1: D-methionine With ammonia; lithium at -78℃; for 1.33333h; Birch Reduction;
Stage #2: With hydrogenchloride In water pH=4-5; Cooling;
Stage #3: With dihydrogen peroxide In water at 0 - 20℃; for 18h;
6027-15-2

D-homocystine

24424-99-5

di-tert-butyl dicarbonate

113132-85-7

N,N'-di(tert-butoxycarbonyl)homocystine

Conditions
ConditionsYield
With sodium carbonate In 1,4-dioxane; water at 20℃;100%
6027-15-2

D-homocystine

D-Homocysteic acid

Conditions
ConditionsYield
With bromine In water
6027-15-2

D-homocystine

57816-79-2

carbocyclic 5'-chloro-5'-deoxyadenosine

94842-39-4

D-C-AdoHcy

Conditions
ConditionsYield
With ammonia; sodium 1.) -78 deg C; Yield given. Multistep reaction;
Conditions
ConditionsYield
With diothiothreitol at 30℃; for 5h;
6027-15-2

D-homocystine

75-26-3

isopropyl bromide

37841-10-4

(R)-2-Amino-4-isopropylsulfanyl-butyric acid

Conditions
ConditionsYield
With ammonia; sodium
Stage #1: D-homocystine With ammonia; sodium
Stage #2: isopropyl bromide
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Specification

This chemical is called Butanoic acid, 4,4'-dithiobis[2-amino-, (2R,2'R)-, and its CAS registry number is 6027-15-2. With the molecular formula of C8H16N2O4S2, its molecular weight is 268.35. Additionally, this chemical should be stored at 0-5°C.

Other characteristics of the Butanoic acid, 4,4'-dithiobis[2-amino-, (2R,2'R)- can be summarised as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 1; (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: 6; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 177.24 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 65.223 cm3; (13)Molar Volume: 185.887 cm3; (14)Polarizability: 25.856×10-24cm3; (15)Surface Tension: 75.625 dyne/cm; (16)Density: 1.444 g/cm3; (17)Flash Point: 260.775 °C; (18)Enthalpy of Vaporization: 85.126 kJ/mol; (19)Boiling Point: 507.58 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: C(CSSCCC(C(=O)O)N)C(C(=O)O)N
2.InChI: InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
3.InChIKey: ZTVZLYBCZNMWCF-UHFFFAOYAO