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

Name
D-(-)-THREOSE
EINECS 202-418-0
CAS No. 95-43-2
Article Data54
CAS DataBase
Density 1.698 g/cm³
Solubility easily soluble in water, slightly soluble in alcohol, insoluble in ether and petroleum ether
Melting Point 130℃
Formula C₄H₈O₄
Boiling Point 290.583 °C at 760 mmHg
Molecular Weight 120.105
Flash Point 129.54 °C
Transport Information
Appearance Deliquescent crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanal,2,3,4-trihydroxy-, [S-(R*,S*)]-;Threose, D- (8CI);D-(-)-Threose;D-Threose;D-(?)-Threose;
PSA 69.92000
LogP -1.94320

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

Product Name

D-(-)-THREOSE

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

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