ChemSpider 2D Image | [(4R,5S,6S,7R,9R,10R,11E,13Z,16R)-6-{[(2S,3S,4S,5R,6S)-5-{[(2R,4S,5R,6R)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[ (2R,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde | C43H74N2O14

[(4R,5S,6S,7R,9R,10R,11E,13Z,16R)-6-{[(2S,3S,4S,5R,6S)-5-{[(2R,4S,5R,6R)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[ (2R,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

  • Molecular FormulaC43H74N2O14
  • Average mass843.053 Da
  • Monoisotopic mass842.513977 Da
  • ChemSpider ID32697318

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

[(4R,5S,6S,7R,9R,10R,11E,13Z,16R)-6-{[(2S,3S,4S,5R,6S)-5-{[(2R,4S,5R,6R)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[ (2R,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyd [German] [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13Z,16R)-6-{[(2S,3S,4S,5R,6S)-5-{[(2R,4S,5R,6R)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[ (2R,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13Z,16R)-6-{[(2S,3S,4S,5R,6S)-5-{[(2R,4S,5R,6R)-4,5-Dihydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-10-{[ (2R,5S,6S)-5-(diméthylamino)-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-méthoxy-9,16-diméthyl-2-oxooxacyclohexadéca-11,13-dién-7-yl]acétaldéhyde [French] [ACD/IUPAC Name]
272-570-0 [EINECS]
68880-55-7 [RN]
WG9420000

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 913.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 150.8±6.0 kJ/mol
    Flash Point: 506.4±34.3 °C
    Index of Refraction: 1.550
    Molar Refractivity: 220.7±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): -2.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.83
    Polar Surface Area: 195 Å2
    Polarizability: 87.5±0.5 10-24cm3
    Surface Tension: 52.8±5.0 dyne/cm
    Molar Volume: 692.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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