Basic information
- Name:
D-Tyrosine, 3-hydroxy-
- CAS No.:
5796-17-8
- Molecular Structure:
- Formula:
- C9H11NO4
- Molecular Weight:
- 197.1879
- Synonyms:
- Alanine,3-(3,4-dihydroxyphenyl)-, D- (8CI);(+)-3-(3,4-Dihydroxyphenyl)alanine;(+)-Dopa;3,4-Dihydroxy-D-phenylalanine;3-(3,4-Dihydroxyphenyl)-D-alanine;3-Hydroxy-D-tyrosine;D-3,4-Dihydroxyphenylalanine;D-3-(3,4-Dihydroxyphenyl)alanine;D-3-Hydroxytyrosine;D-Dopa;β-(3,4-Dihydroxy)-D-phenylalanine;
- EINECS:
- 227-343-0
- Density:
- 1.468 g/cm3
- Melting Point:
- 276-278 °C (lit.)
- Boiling Point:
- 448.4 °C at 760 mmHg
- Flash Point:
- 225 °C
- Solubility:
- soluble in 0.5 M HCl
- Appearance:
- white to tan powder
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Specification
The D-Tyrosine, 3-hydroxy-, with the CAS registry number of 5796-17-8, is also known as D-3-Hydroxytyrosine and D-DOPA. It belongs to the product categories of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Chiral Reagents; Neurochemicals. Its EINECS registry number is 227-343-0. This chemical's molecular formula is C9H11NO4 and molecular weight is 197.19. What's more, its systematic name is 3-Hydroxy-D-tyrosine. D-DOPA is similar to L-DOPA (Levodopa), but with opposite chirality. Levo- and dextro- rotation reference a molecule's ability to rotate planes of polarized light in either direction. Whereas L-DOPA is moderately effective in the treatment of Parkinson's disease (PD), D-DOPA is biologically inactive. Besides, this chemical should be stored at -20 °C.
Physical properties about D-Tyrosine, 3-hydroxy- are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.72; (4)ACD/LogD (pH 7.4): -2.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 49.25 cm3; (15)Molar Volume: 134.2 cm3; (16)Surface Tension: 80.2 dyne/cm; (17)Density: 1.468 g/cm3; (18)Flash Point: 225 °C; (19)Enthalpy of Vaporization: 74.5 kJ/mol; (20)Boiling Point: 448.4 °C at 760 mmHg; (21)Vapour Pressure: 7.97E-09 mmHg at 25 °C.
Preparation: this chemical is prepared by (R)-2-[N-(Phenylsulfonyl)amino]-3-(3, 4-dimethoxyphenyl)propionic acid by heating. This reaction needs reagents Phenol and 48 % HBr. The reaction time is 1 hour. The yield is about 62 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 5-S-Cysteinyl-D-dopa at ambient temperature. This reaction needs reagents Potassium phosphate buffer (pH=6.8) and Mushroom tyrosinase. The yield is about 43.5 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H](N)Cc1cc(O)c(O)cc1
(2) InChI: InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1
(3) InChIKey: WTDRDQBEARUVNC-ZCFIWIBFBC