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L-Homocysteine,S-[(2R)-2-amino-2-carboxyethyl]-

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Name

L-Homocysteine,S-[(2R)-2-amino-2-carboxyethyl]-

EINECS 200-295-8
CAS No. 56-88-2 Density 1.43 g/cm3
Solubility Melting Point
Formula C7H14N2O4S Boiling Point 481 °C at 760 mmHg
Molecular Weight 222.26 Flash Point 244.7 °C
Transport Information Appearance White Crystalline Solid
Safety Risk Codes
Molecular Structure Molecular Structure of 56-88-2 (L-Homocysteine,S-[(2R)-2-amino-2-carboxyethyl]-) Hazard Symbols
Synonyms

Cystathionine(6CI,7CI);Cystathionine, L- (8CI);L-Homocysteine,S-(2-amino-2-carboxyethyl)-, (R)-;Butanoic acid,2-amino-4-[(2-amino-2-carboxyethyl)thio]-, [R-(R*,S*)]-;L-(+)-Cystathionine;L-Cystathionine;S-[(2R)-2-Amino-2-carboxyethyl]-L-homocysteine;(2S)-2-Amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid;

 

L-Homocysteine,S-[(2R)-2-amino-2-carboxyethyl]- Specification

The L-Homocysteine,S-[(2R)-2-amino-2-carboxyethyl]-, with the CAS registry number 56-88-2, is also known as L-Cystathionine. It belongs to the product categories of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Intermediates; Sulfur & Selenium Compounds. Its EINECS number is 200-295-8. This chemical's molecular formula is C7H14N2O4S and molecular weight is 222.26. What's more, its IUPAC name is (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid. It is an intermediate in the synthesis of cysteine. It is used in biochemical research.

Physical properties of L-Homocysteine,S-[(2R)-2-amino-2-carboxyethyl]- are: (1)ACD/LogP: -0.13; (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: 9; (10)Polar Surface Area: 84.38 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 52.59 cm3; (13)Molar Volume: 155.4 cm3; (14)Polarizability: 20.84×10-24cm3; (15)Surface Tension: 75.2 dyne/cm; (16)Density: 1.43 g/cm3; (17)Flash Point: 244.7 °C; (18)Enthalpy of Vaporization: 81.67 kJ/mol; (19)Boiling Point: 481 °C at 760 mmHg; (20)Vapour Pressure: 1.42E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by cysteine and ortho-succinyl homoserine.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CSCC(C(=O)O)N)C(C(=O)O)N
(2)Isomeric SMILES: C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
(3)InChI: InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
(4)InChIKey: ILRYLPWNYFXEMH-WHFBIAKZSA-N

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