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cis-4-Hydroxy-L-proline

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Name

cis-4-Hydroxy-L-proline

EINECS 210-542-1
CAS No. 618-27-9 Density 1.395 g/cm3
Solubility soluble in water Melting Point 257 ºC (dec.)(lit.)
Formula C5H9NO3 Boiling Point 355.2 ºC at 760 mmHg
Molecular Weight 131.13 Flash Point 168.6 ºC
Transport Information Appearance White to beige powder
Safety 24/25-36/37/39-27-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 618-27-9 (L-Proline,4-hydroxy-, (4S)-) Hazard Symbols IrritantXi
Synonyms

L-Proline,4-hydroxy-, cis-;Proline, 4-allo-hydroxy- (7CI);Proline, 4-allo-hydroxy-, L-(8CI);(2S,4S)-4-Hydroxyproline;(2S,4S)-4-Hydroxypyrrolidine-2-carboxylicacid;(S)-allo-Hydroxyproline;4(S)-Hydroxy-2(S)-pyrrolidinecarboxylic acid;4-cis-Hydroxy-L-proline;L-Allohydroxyproline;L-Proline, allo-hydroxy-;L-allo-4-Hydroxyproline;L-allo-Hydroxyproline;L-cis-4-Hydroxyproline;NSC206274;allo-4-Hydroxyproline;allo-Hydroxy-L-proline;allo-L-Hydroxyproline;cis-4-Hydroxyproline;cis-Hydroxyproline;Cis-L-4-Hydroxyproline;(2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid;

 

cis-4-Hydroxy-L-proline Specification

The Hydroxyproline cis-form, with the CAS registry number 618-27-9, is also known as (4S)-4-Hydroxy-L-prolin. It belongs to the product categories of Pyrrole & Pyrrolidine & Pyrroline; Chiral Reagent; Amino Acids; Biochemistry; Biological-Modified Amino Acids; Chiral Compound; Amino Acids & Derivatives; Chiral Reagents; Heterocycles. Its EINECS registry number is 210-542-1. This chemical's molecular formula is C5H9NO3 and molecular weight is 131.13. What's more, its IUPAC name is called (2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid. It should be stored in a cool, dry place. This chemical can be prepared by gelatin, bone glue product, delibakery product. The reaction needs hydrolyzing with hydrochloric acid and purification, crystallization. It is used as the taste agent, nutritional fortifiers or fragrance materials.

Physical properties about Hydroxyproline cis-form are: (1)ACD/LogP: -1.84; (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: 4 ; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.77 Å2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 29.49 cm3; (13)Molar Volume: 93.9 cm3; (14)Surface Tension: 62.2 dyne/cm; (15)Density: 1.395 g/cm3; (16)Flash Point: 168.6 °C; (17)Enthalpy of Vaporization: 69.51 kJ/mol; (18)Boiling Point: 355.2 °C at 760 mmHg; (19)Vapour Pressure: 1.8E-06 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should avoid contacting with skin, eyes and wear suitable protective clothing, gloves. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]1NC[C@@H](O)C1
(2) InChI: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
(3) InChIKey: PMMYEEVYMWASQN-IMJSIDKUSA-N

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