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Butanal,2,3,4-trihydroxy-, (2S,3R)-

  • Name Butanal,2,3,4-trihydroxy-, (2S,3R)-
  • EINECS202-418-0
  • CAS No. 95-43-2
  • Density1.698 g/cm3
  • PSA69.92000
  • LogP-1.94320
  • Solubilityeasily soluble in water, slightly soluble in alcohol, insoluble in ether and petroleum ether
  • Melting Point130℃
  • FormulaC4H8O4
  • Boiling Point290.583 °C at 760 mmHg
  • Molecular Weight120.105
  • Flash Point129.54 °C
  • Transport InformationN/A
  • AppearanceDeliquescent crystal
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 95-43-2 (D-(-)-THREOSE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data54

Butanal,2,3,4-trihydroxy-, (2S,3R)- Specification

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

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