ChemSpider 2D Image | (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimeth yltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one | C41H76N2O15

(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimeth yltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one

  • Molecular FormulaC41H76N2O15
  • Average mass837.047 Da
  • Monoisotopic mass836.524597 Da
  • ChemSpider ID23089670

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimeth yltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-on [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimeth yltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2R,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméth yltétrahydro-2H-pyran-2-yl]oxy}-10-{[(2-méthoxyéthoxy)méthoxy]imino}-3,5,7,9,11,13-hexaméthyloxacyclotétradécan-2-one [French] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name)
(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name)
(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Roxithromycin [BAN] [INN] [USAN] [Wiki]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 864.7±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 142.8±6.0 kJ/mol
    Flash Point: 476.7±37.1 °C
    Index of Refraction: 1.535
    Molar Refractivity: 207.5±0.5 cm3
    #H bond acceptors: 17
    #H bond donors: 5
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 1.03
    ACD/KOC (pH 5.5): 7.17
    ACD/LogD (pH 7.4): 2.80
    ACD/BCF (pH 7.4): 52.67
    ACD/KOC (pH 7.4): 364.76
    Polar Surface Area: 217 Å2
    Polarizability: 82.3±0.5 10-24cm3
    Surface Tension: 39.7±7.0 dyne/cm
    Molar Volume: 666.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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