L(+)-allo-Threonine supplier | CasNO.28954-12-3

Name
L(+)-allo-Threonine
EINECS 249-327-2
CAS No. 28954-12-3
Article Data107
CAS DataBase
Density 1.307 g/cm³
Solubility Soluble in water 50 mg/ml
Melting Point 272 °C (dec.)(lit.)
Formula C₄H₉NO₃
Boiling Point 345.8 °C at 760 mmHg
Molecular Weight 119.12
Flash Point 162.9 °C
Transport Information
Appearance white to off-white crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Allothreonine,L- (8CI);(S)-Allothreonine;(S)-allo-Threonine;Butanoic acid,2-amino-3-hydroxy-, [S-(R*,R*)]-;L-allo-Threonine;NSC 206283;[S-(R*,R*)]-2-Amino-3-hydroxybutanoicacid;allo-L-Threonine;Allo-Thr-OH;L-Allothreonine;
PSA 83.55000
LogP -0.52060

L(+)-allo-Threonine Specification

The L-Allothreonine, with the CAS registry number 28954-12-3, is also known as (2S,3S)-(+)-allo-Threonine. It belongs to the product categories of Threonine [Thr, T]; Amino Acids. Its EINECS registry number is 249-327-2. This chemical's molecular formula is C₄H₉NO₃ and molecular weight is 119.12. What's more, its IUPAC name is called (2S,3S)-2-Amino-3-hydroxybutanoic acid. This chemical is white to off-white crystalline powder and can be used in biochemical research. When you are dealing with this chemical, you should avoid contacting with skin and eyes.

Physical properties about L-Allothreonine are: (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) Surface Tension: 60 dyne/cm; (17) Density: 1.307 g/cm³; (18) Flash Point: 162.9 °C; (19) Enthalpy of Vaporization: 68.32 kJ/mol; (20) Boiling Point: 345.8 °C at 760 mmHg; (21) Vapour Pressure: 3.77E-06 mmHg at 25°C; (22) Melting Point: 272 °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-/m0/s1
(3) InChIKey: AYFVYJQAPQTCCC-HRFVKAFMBS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	5242mg/kg (5242mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955.

Product Name

L(+)-allo-Threonine

L(+)-allo-Threonine Specification

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