ChemSpider 2D Image | Acarbose | C25H43NO18

Acarbose

  • Molecular FormulaC25H43NO18
  • Average mass645.605 Da
  • Monoisotopic mass645.247986 Da
  • ChemSpider ID23264314

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

260-030-7 [EINECS]
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)-D-glucose [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)-D-glucose
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)-D-glucose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
56180-94-0 [RN]
Acarbose [BAN] [INN] [USAN] [Wiki]
D-glucose, O-4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl-(1->4)-O-α-D-glucopyranosyl-(1->4)- [ACD/Index Name]
T58MSI464G
(2R,3R,4R,5R)-4-(((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)-2,3,5,6-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4527 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 1053.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 174.5±6.0 kJ/mol
    Flash Point: 590.8±34.3 °C
    Index of Refraction: 1.672
    Molar Refractivity: 141.9±0.4 cm3
    #H bond acceptors: 19
    #H bond donors: 14
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: -4.14
    ACD/LogD (pH 5.5): -5.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 329 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 111.0±5.0 dyne/cm
    Molar Volume: 378.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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