-
Name
D-Erythrulose
- EINECS
- CAS No. 496-55-9
- Article Data21
- CAS DataBase
- Density 1.42g/cm3
- Solubility
- Melting Point
- Formula C4H8O4
- Boiling Point 349.6 °C at 760 mmHg
- Molecular Weight 120.105
- Flash Point 179.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Butanone,1,3,4-trihydroxy-,(3R)-;Threshold potentialD-Threulose;D-glycero-Tetrulose;
- PSA 77.76000
- LogP -2.09900
D-Erythrulose Specification
The D-Erythrulose, with CAS registry number 496-55-9, has the systematic name of (3R)-1,3,4-trihydroxybutan-2-one. Besides this, it is also called D-Glycero-tetrulose. And the chemical formula of this chemical is C4H8O4.
Physical properties of D-Erythrulose: (1)ACD/LogP: -0.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 25.17 cm3; (9)Molar Volume: 84.5 cm3; (10)Polarizability: 9.97×10-24cm3; (11)Surface Tension: 69.1 dyne/cm; (12)Density: 1.42 g/cm3; (13)Flash Point: 179.4 °C; (14)Enthalpy of Vaporization: 68.8 kJ/mol; (15)Boiling Point: 349.6 °C at 760 mmHg; (16)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@H](O)CO
(2)InChI: InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m1/s1
(3)InChIKey: UQPHVQVXLPRNCX-GSVOUGTGBU
(4)Std. InChI: InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m1/s1
(5)Std. InChIKey: UQPHVQVXLPRNCX-GSVOUGTGSA-N
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