CAS No.24830-94-2,D(-)-allo-Threonine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24830-94-2
Name:	D(-)-allo-Threonine
Article Data:	272
Cas Database

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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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.