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| CAS No.: | 1854-25-7 |
|---|---|
| Name: | 2-KETO-D-GLUCOSE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C6H10O6 |
| Molecular Weight: | 178.142 |
| Synonyms: | D-arabino-Hexosulose(6CI,7CI,8CI);Glucosone, D- (6CI);2-Keto-D-glucose;2-Ketoglucose;D-Glucosone;Fructosone;Glucosone;Mannosone; |
| Density: | 1.574 g/cm3 |
| Melting Point: | 118-120°C |
| Boiling Point: | 481 °C at 760 mmHg |
| Flash Point: | 258.8 °C |
| Appearance: | off-white solid |
| Safety: | 24/25 |
| PSA: | 115.06000 |
| LogP: | -3.17060 |
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Specification
The 2-Ketoglucose, with the CAS registry number 1854-25-7, is also known as D-Arabino-hexos-2-ulose. It belongs to the product categories of 13C & 2H Sugars; Aldehydes; Carbohydrates & Derivatives. This chemical's molecular formula is C6H10O6 and molecular weight is 178.14. Its IUPAC name is called 3,4,5,6-tetrahydroxy-2-oxohexanal. This chemical is off-white solid which can be used as a useful synthetic intermediat.
Physical properties of 2-Ketoglucose: (1)ACD/LogP: -2.38; (2)ACD/LogD (pH 5.5): -2.38; (3)ACD/LogD (pH 7.4): -2.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.21; (7)ACD/KOC (pH 7.4): 1.21; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 36.07 cm3; (13)Molar Volume: 113.1 cm3; (14)Surface Tension: 85.2 dyne/cm; (15)Density: 1.574 g/cm3; (16)Flash Point: 258.8 °C; (17)Enthalpy of Vaporization: 85.93 kJ/mol; (18)Boiling Point: 481 °C at 760 mmHg; (19)Vapour Pressure: 2.85E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(C(C(=O)C=O)O)O)O)O
(2)InChI: InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2
(3)InChIKey: DCNMIDLYWOTSGK-UHFFFAOYSA-N