ChemSpider 2D Image | (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-Dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-m ethyltetrahydro-2H-pyran-3-yl]oxy}-2,4-dimethyl-4-(propionyloxy)tetrahydro-2H-pyran-3-yl butanoate (non-preferred name) | C42H69NO15

(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-Dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-m ethyltetrahydro-2H-pyran-3-yl]oxy}-2,4-dimethyl-4-(propionyloxy)tetrahydro-2H-pyran-3-yl butanoate (non-preferred name)

  • Molecular FormulaC42H69NO15
  • Average mass827.995 Da
  • Monoisotopic mass827.466736 Da
  • ChemSpider ID45743455

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-Dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-m ethyltetrahydro-2H-pyran-3-yl]oxy}-2,4-dimethyl-4-(propionyloxy)tetrahydro-2H-pyran-3-yl butanoate (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-Dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-m ethyltetrahydro-2H-pyran-3-yl]oxy}-2,4-dimethyl-4-(propionyloxy)tetrahydro-2H-pyran-3-yl-butanoat (non-preferred name) [German] [ACD/IUPAC Name]
Butanoate de (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-dihydroxy-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6-yl]oxy}-4-(diméthylamino)- 5-hydroxy-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-2,4-diméthyl-4-(propionyloxy)tétrahydro-2H-pyran-3-yle (non-preferred name) [French] [ACD/IUPAC Name]
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] butanoate
74014-51-0 [RN]
MFCD00941397 [MDL number]
Ricamycin [Trade name]
ROKITAMYCIN [JP15]
UNII:ZPT03UEM0E

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 879.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 145.2±6.0 kJ/mol
    Flash Point: 485.6±34.3 °C
    Index of Refraction: 1.535
    Molar Refractivity: 213.0±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 3
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 4.33
    ACD/LogD (pH 5.5): 1.48
    ACD/BCF (pH 5.5): 2.90
    ACD/KOC (pH 5.5): 23.16
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 99.01
    ACD/KOC (pH 7.4): 790.28
    Polar Surface Area: 206 Å2
    Polarizability: 84.4±0.5 10-24cm3
    Surface Tension: 51.2±5.0 dyne/cm
    Molar Volume: 683.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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