CAS No.95-44-3,L-(+)-THREOSE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	95-44-3
Name:	L-(+)-THREOSE
Article Data:	32

Formula:	C₄H₈O₄
Molecular Weight:	120.105
Synonyms:	Butanal,2,3,4-trihydroxy-, [R-(R,S)]-;Threose, L- (8CI);L-Threofuranose;L-Threose;
EINECS:	202-419-6
Density:	1.698 g/cm³
Melting Point:	162-163℃
Boiling Point:	290.6 °C at 760mmHg
Flash Point:	129.5 °C
Appearance:	syrup
PSA:	69.92000
LogP:	-1.94320

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Specification

The Butanal,2,3,4-trihydroxy-, (2R,3S)- is an organic compound with the formula C₄H₈O₄. The IUPAC name of this chemical is oxolane-2,3,4-triol. With the CAS registry number 95-44-3, it is also named as L-Threose. The product's categories are Carbohydrates; Carbohydrates A to; Carbohydrates P-ZBiochemicals and Reagents; Monosaccharide. In addition, this chemical is syrup which should be stored at the temperature of 2-8 °C.

The other characteristics of Butanal,2,3,4-trihydroxy-, (2R,3S)- can be summarized as: (1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.82; (5)ACD/KOC (pH 7.4): 4.82; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.619; (10)Molar Refractivity: 24.82 cm³; (11)Molar Volume: 70.7 cm³; (12)Polarizability: 9.84×10^-24 cm³; (13)Surface Tension: 70.5 dyne/cm; (14)Enthalpy of Vaporization: 61.49 kJ/mol; (15)Vapour Pressure: 0.000223 mmHg at 25°C; (16)Exact Mass: 120.042259; (17)MonoIsotopic Mass: 120.042259; (18)Topological Polar Surface Area: 69.9; (19)Heavy Atom Count: 8; (20)Complexity: 84.1.

People can use the following data to convert to the molecule structure.
1. SMILES:O[C@H]1CO[C@H](O)[C@@H]1O
2. InChI:InChI=1/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4-/m0/s1
3. InChIKey:FMAORJIQYMIRHF-NUNKFHFFBU
4. Std. InChI:InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4-/m0/s1
5. Std. InChIKey:FMAORJIQYMIRHF-NUNKFHFFSA-N