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CAS No.: | 95-43-2 |
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Name: | D-(-)-THREOSE |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C4H8O4 |
Molecular Weight: | 120.105 |
Synonyms: | Butanal,2,3,4-trihydroxy-, [S-(R*,S*)]-;Threose, D- (8CI);D-(-)-Threose;D-Threose;D-(?)-Threose; |
EINECS: | 202-418-0 |
Density: | 1.698 g/cm3 |
Melting Point: | 130℃ |
Boiling Point: | 290.583 °C at 760 mmHg |
Flash Point: | 129.54 °C |
Solubility: | easily soluble in water, slightly soluble in alcohol, insoluble in ether and petroleum ether |
Appearance: | Deliquescent crystal |
PSA: | 69.92000 |
LogP: | -1.94320 |
The Butanal,2,3,4-trihydroxy-, (2S,3R)- 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 95-43-2, it is also named as D-Threose. The product's categories are Carbohydrate Synthesis; Carbohydrates; Carbohydrates A to; Carbohydrates P-ZBiochemicals and Reagents; Monosaccharides; Monosaccharide Specialty Synthesis. It is deliquescent crystal which is easily soluble in water, slightly soluble in alcohol, insoluble in ether and petroleum ether. Additionally, this chemical should be stored at the temperature of 2-8 °C.
The other characteristics of Butanal,2,3,4-trihydroxy-, (2S,3R)- can be summarized as: (1)ACD/LogP: -1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 24.824 cm3; (14)Molar Volume: 70.72 cm3; (15)Polarizability: 9.841×10-24 cm3; (16)Surface Tension: 70.537 dyne/cm; (17)Enthalpy of Vaporization: 61.493 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Exact Mass: 120.042259; (20)MonoIsotopic Mass: 120.042259; (21)Topological Polar Surface Area: 69.9; (22)Heavy Atom Count: 8; (23)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+/m1/s1
3. InChIKey:FMAORJIQYMIRHF-UZBSEBFBBZ
4. Std. InChI:InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4+/m1/s1
5. Std. InChIKey:FMAORJIQYMIRHF-UZBSEBFBSA-N