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[ CAS No. 57-48-7 ] {[proInfo.proName]}

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Chemical Structure| 57-48-7
Chemical Structure| 57-48-7
Structure of 57-48-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 57-48-7 ]

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

Calculated chemistry of [ 57-48-7 ]

Physicochemical Properties

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

Pharmacokinetics

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

Lipophilicity

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

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

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

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.13

Safety of [ 57-48-7 ]

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:

Application In Synthesis of [ 57-48-7 ]

* 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.

  • Upstream synthesis route of [ 57-48-7 ]
  • Downstream synthetic route of [ 57-48-7 ]

[ 57-48-7 ] Synthesis Path-Upstream   1~28

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YieldReaction ConditionsOperation 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).
Reference: [1] Journal of Molecular Catalysis B: Enzymatic, 2013, vol. 97, p. 12 - 17
[2] Journal of Molecular Catalysis B: Enzymatic, 2013, vol. 97, p. 12 - 17
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Reference: [1] Journal of Molecular Catalysis B: Enzymatic, 2015, vol. 111, p. 51 - 55
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  • [ 50-99-7 ]
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Reference: [1] Journal of Agricultural and Food Chemistry, 2008, vol. 56, # 8, p. 2805 - 2809
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Reference: [1] Journal of Catalysis, 2012, vol. 295, p. 15 - 21
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Reference: [1] Journal of Agricultural and Food Chemistry, 2010, vol. 58, # 5, p. 3116 - 3124
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Reference: [1] Journal of Agricultural and Food Chemistry, 2010, vol. 58, # 5, p. 3116 - 3124
  • 7
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  • [ 62147-49-3 ]
Reference: [1] RSC Advances, 2015, vol. 5, # 110, p. 90952 - 90959
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Reference: [1] RSC Advances, 2015, vol. 5, # 110, p. 90952 - 90959
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Reference: [1] RSC Advances, 2015, vol. 5, # 110, p. 90952 - 90959
  • 10
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Reference: [1] Proceedings of the Imperial Academy (Tokyo), 1932, vol. 8, p. 365[2] Chem. Zentralbl., 1933, vol. 104, # I, p. 1461
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Reference: [1] Organic and Biomolecular Chemistry, 2014, vol. 12, # 46, p. 9324 - 9328
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Reference: [1] Patent: US2014/128625, 2014, A1, . Location in patent: Paragraph 0064; 0070
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Reference: [1] Patent: US2014/128625, 2014, A1, . Location in patent: Paragraph 0064
  • 14
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Reference: [1] Journal of the American Chemical Society, 2016, vol. 138, # 13, p. 4294 - 4297
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Reference: [1] ChemCatChem, 2018, vol. 10, # 18, p. 4154 - 4161
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Reference: [1] ChemCatChem, 2018, vol. 10, # 18, p. 4154 - 4161
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Reference: [1] RSC Advances, 2018, vol. 8, # 53, p. 30163 - 30170
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Reference: [1] Organic Letters, 2014, vol. 16, # 9, p. 2414 - 2417
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YieldReaction ConditionsOperation 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.
Reference: [1] Patent: US2017/15614, 2017, A1, . Location in patent: Page/Page column 2; 13-14
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Reference: [1] Patent: US2014/309415, 2014, A1, . Location in patent: Paragraph 0079; 0080
[2] Patent: US2014/309415, 2014, A1, . Location in patent: Paragraph 0082; 0083
  • 21
  • [ 57-04-5 ]
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Reference: [1] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1641 - 1644
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Reference: [1] Bioscience, Biotechnology and Biochemistry, 2005, vol. 69, # 6, p. 1120 - 1129
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Reference: [1] ChemSusChem, 2015, vol. 8, # 6, p. 970 - 973
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Reference: [1] ChemSusChem, 2015, vol. 8, # 6, p. 970 - 973
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Reference: [1] Patent: US2011/137085, 2011, A1, . Location in patent: Page/Page column 9
  • 26
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Reference: [1] Green Chemistry, 2013, vol. 15, # 10, p. 2895 - 2903
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Reference: [1] Green Chemistry, 2013, vol. 15, # 10, p. 2895 - 2903
  • 28
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Reference: [1] Journal of Sulfur Chemistry, 2015, vol. 36, # 5, p. 463 - 470
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