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CAS No. : | 57-48-7 | MDL No. : | MFCD00148910 |
Formula : | C6H12O6 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 180.16 | Pubchem ID : | - |
Synonyms : |
D(-)-Fructose;Fruit sugar;D-arabino-hexulose;D-fructofuranose;fructosteril;levulose;D-(-)-Fructose;Fructose
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.83 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 6.0 |
Num. H-bond donors : | 5.0 |
Molar Refractivity : | 36.96 |
TPSA : | 118.22 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -9.7 cm/s |
Log Po/w (iLOGP) : | 0.43 |
Log Po/w (XLOGP3) : | -3.24 |
Log Po/w (WLOGP) : | -3.38 |
Log Po/w (MLOGP) : | -2.91 |
Log Po/w (SILICOS-IT) : | -1.59 |
Consensus Log Po/w : | -2.14 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 1.41 |
Solubility : | 4680.0 mg/ml ; 26.0 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 1.33 |
Solubility : | 3840.0 mg/ml ; 21.3 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 2.09 |
Solubility : | 22300.0 mg/ml ; 124.0 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.13 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
29.89 %Chromat. | With Aspergillus flavus NFCCI 2364 culture filtrate In aq. buffer at 55℃; for 24 h; Microbiological reaction | General procedure: FOS production was carried out by adding 1ml of enzyme samples collected at various time intervals to 3ml of 50percent (w/v) sucrose dissolved in 0.1M citrate buffer (pH 5.5) for period of 24h at 55°C. The amount of FOS formation in the samples was analyzed by high performance liquid chromatography (HPLC, Waters) with sugar-pak column (6.5×300mm) and refractive index (RI) differential detector (RI 2414). |
25.31 %Chromat. | With Aspergillus niger SI 19 culture filtrate In aq. buffer at 55℃; for 24 h; Microbiological reaction | General procedure: FOS production was carried out by adding 1ml of enzyme samples collected at various time intervals to 3ml of 50percent (w/v) sucrose dissolved in 0.1M citrate buffer (pH 5.5) for period of 24h at 55°C. The amount of FOS formation in the samples was analyzed by high performance liquid chromatography (HPLC, Waters) with sugar-pak column (6.5×300mm) and refractive index (RI) differential detector (RI 2414). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
26.7 %Spectr. | With molybdenum(VI) oxide In water at 100℃; for 4 h; | FIG. 8 shows 1H NMR spectra of D-fructose standard solution and of the fructose-containing fraction isolated after reaction of D-fructose with MoO3 in water at 100° C. for 4 h. Sorbose is present in the collected fraction. |
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