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24830-94-2

Basic Information
CAS No.: 24830-94-2
Name: D(-)-allo-Threonine
Article Data: 272
Molecular Structure:
Molecular Structure of 24830-94-2 (D(-)-allo-Threonine)
Formula: C4H9NO3
Molecular Weight: 119.12
Synonyms: Allothreonine,D- (8CI);(2R,3R)-Allothreonine;(R)-Allothreonine;(R)-allo-Threonine;D-allo-Threonine;NSC 206267;D-Allothreonine;
EINECS: 246-488-0
Density: 1.307 g/cm3
Melting Point: 276 °C (dec.)(lit.)
Boiling Point: 345.8 °C at 760 mmHg
Flash Point: 162.9 °C
Solubility: soluble in water
Appearance: white crystalline powder
Safety: 24/25
PSA: 83.55000
LogP: -0.52060
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  • D(-)-allo-Threonine

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    24830-94-2

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  • H-D-allo-Thr-OH 24830-94-2 CAS NO.: 24830-94-2

  • Casno:

    24830-94-2

    H-D-allo-Thr-OH 24830-94-2 CAS NO.: 24830-94-2

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Specification

The D-allo-Threonine, with the CAS registry number 24830-94-2 and EINECS registry number 246-488-0, has the systematic name of D-allothreonine. It is also called (2R,3R)-2-Amino-3-hydroxybutyric acid. And the molecular formula of this chemical is C4H9NO3. It is white crystalline powder, and belongs to the product categories of Threonine [Thr, T] and Amino Acids. In addition, it can be stored at room temperature. Besides, while dealing with this chemical, you should avoid contacting with skin and eyes.

The physical properties of D-allo-Threonine are as following: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.73; (4)ACD/LogD (pH 7.4): -3.73; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 27.13 cm3; (15)Molar Volume: 91.1 cm3; (16)Polarizability: 10.75×10-24cm3; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.307 g/cm3; (19)Flash Point: 162.9 °C; (20)Enthalpy of Vaporization: 68.32 kJ/mol; (21)Boiling Point: 345.8 °C at 760 mmHg; (22)Vapour Pressure: 3.77E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)[C@H](O)C
(2)InChI: InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
(3)InChIKey: AYFVYJQAPQTCCC-PWNYCUMCBD

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 6910mg/kg (6910mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

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