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D-Isoleucine

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Name

D-Isoleucine

EINECS 206-269-2
CAS No. 319-78-8 Density 1.035 g/cm3
PSA 63.32000 LogP 1.14470
Solubility N/A Melting Point 272-274 °C
Formula C6H13NO2 Boiling Point 297.8 °C at 760 mmHg
Molecular Weight 131.175 Flash Point 109.2 °C
Transport Information N/A Appearance white to very slightly yellow powder
Safety 24/25-36-22 Risk Codes 40
Molecular Structure Molecular Structure of 319-78-8 ((2R,3R)-2-Amino-3-methylpentanoic acid) Hazard Symbols HarmfulXn
Synonyms

Isoleucine,D- (8CI);(R)-Isoleucine;(2R,3R)-2-Amino-3-methylpentanoic acid;

Article Data 88

D-Isoleucine Synthetic route

Conditions
ConditionsYield
With C13H15NO5V(1-)*C16H36N(1+) In ethanol; waterA 32%
B n/a
With C13H15NO5V(1-)*C16H36N(1+) In ethanol; waterA n/a
B 22%
Conditions
ConditionsYield
durch Einw. von gaerender Hefe;
crystallization with L-Phe (1:2 ratio) from water-ethanol (pH 5-6) at 25 deg C;
Multi-step reaction with 2 steps
2: brucine / man zerlegt in die optisch aktiven Komponenten und erwaermt mit 10prozentiger Salzsaeure auf dem Wasserbad
View Scheme
21582-41-2

(-)(2S:3R)-2-bromo-3-methyl-valeric acid

319-78-8

D-Isoleucine

Conditions
ConditionsYield
bei Ueberfuehrung in das (Carboxymetyl)-amid, folgender Aminierung und Hydrolyse;
4101-35-3, 89810-44-6

N-formyl-isoleucine

319-78-8

D-Isoleucine

Conditions
ConditionsYield
With brucine man zerlegt in die optisch aktiven Komponenten und erwaermt mit 10prozentiger Salzsaeure auf dem Wasserbad;
With brucine man zerlegt in die optisch aktiven Komponenten und erwaermt mit 20prozentiger Bromwasserstoffsaeure;
907582-55-2

N-formyl-D-isoleucine

319-78-8

D-Isoleucine

Conditions
ConditionsYield
With hydrogen bromide
19764-31-9

(2R,3R)-2-acetamido-3-methylpentanoic acid

319-78-8

D-Isoleucine

Conditions
ConditionsYield
With hydrogenchloride
With Escherichia coli D-aminoacylase amano In phosphate buffer at 37℃; for 12h; pH=8.0;
Stage #1: (2R,3R)-2-acetamido-3-methylpentanoic acid With hydrogenchloride; water at 80℃;
Stage #2: With triethylamine
868-28-0

N-D-isoleucyl-glycine

A

319-78-8

D-Isoleucine

B

56-40-6

glycine

Conditions
ConditionsYield
Hydrolysis;
907582-60-9

N-chloroacetyl-D-isoleucine

319-78-8

D-Isoleucine

Conditions
ConditionsYield
With hydrogenchloride
73-32-5

L-isoleucine

319-78-8

D-Isoleucine

Conditions
ConditionsYield
With hydrogenchloride; ethanethiol at 110℃; Rate constant; various times;

D-Isoleucine Specification

The CAS registry number of D-Isoleucine is 319-78-8. In addition, the molecular formula is C6H13NO2 and the molecular weight is 131.17. The IUPAC name is (2R,3R)-2-amino-3-methylpentanoic acid. What's more, it is a kind of white to very slightly yellow powder. Besides it can be used in biochemical research and as nutritional supplements in medicine.

Physical properties about D-Isoleucine are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): -1.77; (3)ACD/LogD (pH 7.4): -1.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 34.86 cm3; (14)Molar Volume: 126.6 cm3; (15)Polarizability: 13.82 ×10-24cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.035 g/cm3; (18)Flash Point: 90.3 °C; (19)Enthalpy of Vaporization: 50.93 kJ/mol; (20)Boiling Point: 225.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0309 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
During using it, wear suitable protective clothing and avoid contact with skin and eyes. In addition, do not breathe dust. There is limited evidence of a carcinogenic effect.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)[C@H](C)CC
(2)Std.InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
(3)Std.InChIKey: AGPKZVBTJJNPAG-RFZPGFLSSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 6822mg/kg (6822mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956.

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