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| CAS No.: | 7636-04-6 |
|---|---|
| Name: | 2-keto-3-deoxy-L-arabonate |
| Molecular Structure: | |
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| Formula: | C5H8O5 |
| Molecular Weight: | 148.114 |
| Synonyms: | Valericacid, 4,5-dihydroxy-2-oxo- (6CI,7CI);glycero-Pentulosonic acid, 3-deoxy-(8CI);DL-2-Oxo-3-deoxyarabonate; |
| Density: | 1.508 g/cm3 |
| Boiling Point: | 389 °C at 760 mmHg |
| Flash Point: | 203.2 °C |
| PSA: | 94.83000 |
| LogP: | -1.61660 |
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Specification
The 2-Keto-3-deoxy-L-arabonate, with the CAS registry number 7636-04-6, is also known as 3-Deoxy-2-ketoarabinonic acid. This chemical's molecular formula is C5H8O5 and molecular weight is 148.114. Its IUPAC name is called 4,5-dihydroxy-2-oxopentanoic acid.
Physical properties of 2-Keto-3-deoxy-L-arabonate: (1)ACD/LogP: -2.49; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 6; (9)Index of Refraction: 1.519; (10)Molar Refractivity: 29.83 cm3; (11)Molar Volume: 98.2 cm3; (12)Surface Tension: 74.7 dyne/cm; (13)Density: 1.508 g/cm3; (14)Flash Point: 203.2 °C; (15)Enthalpy of Vaporization: 73.81 kJ/mol; (16)Boiling Point: 389 °C at 760 mmHg; (17)Vapour Pressure: 1.17E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=O)CC(O)CO
(2)InChI: InChI=1/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)
(3)InChIKey: UQIGQRSJIKIPKZ-UHFFFAOYAB