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[ CAS No. 59-23-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 59-23-4
Chemical Structure| 59-23-4
Structure of 59-23-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 59-23-4 ]

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Product Details of [ 59-23-4 ]

CAS No. :59-23-4 MDL No. :MFCD00151230
Formula : C6H12O6 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 180.16 Pubchem ID :-
Synonyms :
D-Galactopyranose;D-(+)-Galactose
Chemical Name :(2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal

Calculated chemistry of [ 59-23-4 ]      Expand+

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 : 36.97
TPSA : 118.22 ?2

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) : -9.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -2.94
Log Po/w (WLOGP) : -3.38
Log Po/w (MLOGP) : -2.91
Log Po/w (SILICOS-IT) : -1.6
Consensus Log Po/w : -2.17

Druglikeness

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

Water Solubility

Log S (ESOL) : 1.23
Solubility : 3030.0 mg/ml ; 16.8 mol/l
Class : Highly soluble
Log S (Ali) : 1.02
Solubility : 1870.0 mg/ml ; 10.4 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 2.45
Solubility : 50500.0 mg/ml ; 281.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.31

Safety of [ 59-23-4 ]

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 [ 59-23-4 ]

* 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.

  • Downstream synthetic route of [ 59-23-4 ]

[ 59-23-4 ] Synthesis Path-Downstream   1~7

  • 2
  • [ 7493-95-0 ]
  • [ 59-23-4 ]
  • 3
  • [ 59-23-4 ]
  • [ 7493-95-0 ]
  • [ 902-54-5 ]
  • 4
  • [ 57-50-1 ]
  • [ 7493-95-0 ]
  • [ 59-23-4 ]
  • [ 470-55-3 ]
  • 5
  • [ 7493-95-0 ]
  • [ 59-23-4 ]
  • [ 499-39-8 ]
YieldReaction ConditionsOperation in experiment
With recombinant alpha-galactosidase AgaAHJG4 from Streptomyces; In aq. phosphate buffer; at 37.0℃; for 24.0h;Catalytic behavior; General procedure: Transglycosylation reactions were carried out using pNPG as the donor at 40mM with various acceptors at 400mM including Xyl, Glc, Gal, Sor, Fru, Man, Lac, Suc, Raf, Sta, Mant, Sort, methanol (MeOH), ethanol (EtOH), ethylene glycol (EgOH), 2-propanol (PrOH), n-butanol (BuOH), 3-methyl-1-butanol (mBuOH), and glycerol (GlOH). Donor and acceptors were preincubated for 10min at 37C. The mixtures were incubated at 37C for 24h after the addition of 0.2UmL-1 rAgaAJB07 or rAgaAHJG4. Reactions were stopped by rapid freezing. Transglycosylation products were analyzed by thin layer chromatography (TLC) using the method of Shivam and Mishra (2010) with some modifications as follows:
With recombinant alpha-galactosidase AgaAJB07 from Mesorhizobium; In aq. phosphate buffer; at 37.0℃; for 24.0h;Catalytic behavior; General procedure: Self-condensation reactions were carried out using 40mM pNPG or 400mM Mel, Raf, or Sta as the substrates. Transglycosylation reactions were carried out using pNPG as the donor at 40mM with various acceptors at 400mM including Xyl, Glc, Gal, Sor, Fru, Man, Lac, Suc, Raf, Sta, Mant, Sort, methanol (MeOH), ethanol (EtOH), ethylene glycol (EgOH), 2-propanol (PrOH), n-butanol (BuOH), 3-methyl-1-butanol (mBuOH), and glycerol (GlOH). Donor and acceptors were preincubated for 10min at 37C. The mixtures were incubated at 37C for 24h after the addition of 0.2UmL-1 rAgaAJB07 or rAgaAHJG4. Reactions were stopped by rapid freezing. Transglycosylation products were analyzed by thin layer chromatography (TLC) using the method of Shivam and Mishra (2010) with some modifications as follows:
  • 7
  • [ 59-23-4 ]
  • [ 30065-27-1 ]
  • C15H20N4O6S [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With acetic acid; In ethanol; for 10.0h;Reflux; General procedure: To solution of 4 (10 mmol) in absolute ethanol, different sugars (10 mmol) were added and then glacial acetic acid (1 ml) was added to the reaction mixture which was refluxed for 10h (TLC).The solvent was evaporated or concentrated under reduced pressure and the product was filtered off to afford 5(a-d) (83 - 88%) yields.
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