ChemSpider 2D Image | (1R,3S,5R,7R,8Z,12R,14Z,16Z,18Z,20Z,22R,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-beta-D-talopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-p entaene-25-carboxylic acid | C33H47NO13

(1R,3S,5R,7R,8Z,12R,14Z,16Z,18Z,20Z,22R,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-β-D-talopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-p entaene-25-carboxylic acid

  • Molecular FormulaC33H47NO13
  • Average mass665.725 Da
  • Monoisotopic mass665.304749 Da
  • ChemSpider ID53601885

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1R,3S,5R,7R,8Z,12R,14Z,16Z,18Z,20Z,22R,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-β-D-talopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-p entaene-25-carboxylic acid [ACD/IUPAC Name]
(1R,3S,5R,7R,8Z,12R,14Z,16Z,18Z,20Z,22R,24S,25R,26S)-22-[(3-Amino-3,6-didesoxy-β-D-talopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20- pentaen-25-carbonsäure [German] [ACD/IUPAC Name]
6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, 22-[(3-amino-3,6-dideoxy-β-D-talopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-, (1R,3S,5R,7R,8Z,12R,14Z ,16Z,18Z,20Z,22R,24S,25R,26S)- [ACD/Index Name]
Acide (1R,3S,5R,7R,8Z,12R,14Z,16Z,18Z,20Z,22R,24S,25R,26S)-22-[(3-amino-3,6-didésoxy-β-D-talopyranosyl)oxy]-1,3,26-trihydroxy-12-méthyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,
 18,20-pentaène-25-carboxylique [French] [ACD/IUPAC Name]
(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-(((2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.
(1r,3s,5r,7r,8e,12r,14e,16e,18e,20e,22r,24s,25r,26s)-22-(((2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0(5,7)]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 952.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 157.2±6.0 kJ/mol
    Flash Point: 529.7±34.3 °C
    Index of Refraction: 1.620
    Molar Refractivity: 167.7±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 8
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 3
    ACD/LogP: 0.74
    ACD/LogD (pH 5.5): -2.90
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 231 Å2
    Polarizability: 66.5±0.5 10-24cm3
    Surface Tension: 71.0±5.0 dyne/cm
    Molar Volume: 477.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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