ChemSpider 2D Image | Acarbose | C25H43NO18

Acarbose

  • Molecular FormulaC25H43NO18
  • Average mass645.605 Da
  • Monoisotopic mass645.247986 Da
  • ChemSpider ID392239
  • defined stereocentres - 19 of 19 defined stereocentres


More details:



Featured data source



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(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-Dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}tetrahydro-2H-pyran-2-yl]oxy}-3,4-dihydro
(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-méthyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxyméthyl)cyclohex-2-én-1-yl]amino}tétrahydro-2H-pyran-2-yl]oxy}-3,4-dihydro
(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-Dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}tetrahydro-2H-pyran-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol
(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-méthyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxyméthyl)cyclohex-2-én-1-yl]amino}tétrahydro-2H-pyran-2-yl]oxy}-3,4-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-6-(hydroxyméthyl)tétrahydro-2H-pyran-2,3,4-triol
260-030-7 [EINECS]
4",6"-dideoxy-4"-[(1 S )-(1,4,6/5)-4,5,6-trihydroxy-3-hydroxymethyl-2-cyclohexenylamino]maltotriose
4,6-Dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranose [ACD/IUPAC Name]
4,6-Dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranose
4,6-Didesoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Acarbose(Bay-g 5421) is an inhibitor of alpha glucosidase, an anti-diabetic drug. MedChem Express
      Acarbose(Bay-g 5421) is an inhibitor of alpha glucosidase, an anti-diabetic drug.; Target: alpha glucosidase; Acarbose is an anti-diabetic drug used to treat type 2 diabetes mellitus and, in some coun tries, prediabetes. MedChem Express HY-B0089
      Acarbose(Bay-g 5421) is an inhibitor of alpha glucosidase, an anti-diabetic drug.;Target: alpha glucosidaseAcarbose is an anti-diabetic drug used to treat type 2 diabetes mellitus and, in some countries, prediabetes. It is an inhibitor of alpha glucosidase, an enteric enzyme that releases glucose from larger carbohydrates [1]. Acarbose decreased the Fasting Blood Glucose of DM Rats. The fasting blood glucose (FBG) in the acarbose-treated group decreased significantly at week 2 (P<0.05), week 4 (P<0.05), week 6 (P<0.05), and week 8 (P<0.05) compared to the DM group [2].Clinical indications: Diabetes mellitus; Glucose intolerance; Hyperglycemia; Non-insulin dependent diabetes MedChem Express HY-B0089
      Enzymes Tocris Bioscience 2673
      Glucosidase ? inhibitor (intestinal) Tocris Bioscience 2673
      Glycosylases Tocris Bioscience 2673
      Inhibitor of intestinal ?-glucosidase (IC50 = 11 nM). Antidiabetic; inhibits the hydrolysis of complex carbohydrates. Tocris Bioscience 2673
      Inhibitor of intestinal alpha-glucosidase (IC50 = 11 nM). Antidiabetic; inhibits the hydrolysis of complex carbohydrates. Tocris Bioscience 2673
      Others MedChem Express HY-B0089

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 971.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.5±6.0 kJ/mol
Flash Point: 541.4±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 14
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.16
ACD/LogD (pH 5.5): -5.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 114.6±5.0 dyne/cm
Molar Volume: 369.8±5.0 cm3

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