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40031-31-0

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Basic Information
CAS No.: 40031-31-0
Name: ERYTHRULOSE
Article Data: 33
Molecular Structure:
Molecular Structure of 40031-31-0 (ERYTHRULOSE)
Formula: C4H8O4
Molecular Weight: 120.105
Synonyms: 1,3,4-trihydroxybutan-2-one;Erythrulose;2-Butanone, 1,3,4-trihydroxy-;
Density: 1.42g/cm3
Boiling Point: 349.6 °C at 760 mmHg
Flash Point: 179.4 °C
PSA: 77.76000
LogP: -2.09900
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Specification

The L-glycero-Tetrulose, with CAS registry number 40031-31-0, has the systematic name of 1,3,4-trihydroxybutan-2-one. Besides this, it is also called 2-Butanone, 1,3,4-trihydroxy-. And the chemical formula of this chemical is C4H8O4.

Physical properties of L-glycero-Tetrulose: (1)ACD/LogP: -0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.98; (8)ACD/KOC (pH 7.4): 6.98; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 25.17 cm3; (15)Molar Volume: 84.5 cm3; (16)Polarizability: 9.97×10-24cm3; (17)Surface Tension: 69.1 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 68.8 kJ/mol; (21)Boiling Point: 349.6 °C at 760 mmHg; (22)Vapour Pressure: 2.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CO)C(O)CO
(2)InChI: InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2
(3)InChIKey: UQPHVQVXLPRNCX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2
(5)Std. InChIKey: UQPHVQVXLPRNCX-UHFFFAOYSA-N