ChemSpider 2D Image | (4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-10-Acetoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4-acetoxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2 H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl propanoate (non-preferred name) | C45H71NO17

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

  • Molecular FormulaC45H71NO17
  • Average mass898.042 Da
  • Monoisotopic mass897.472229 Da
  • ChemSpider ID52083303

  • 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

(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-10-Acetoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4-acetoxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2 H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl propanoate (non-preferred name) [ACD/IUPAC Name]
(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-10-Acetoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4-acetoxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2 H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl-propanoat (non-preferred name) [German] [ACD/IUPAC Name]
Propanoate de (4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-10-acétoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4-acétoxy-4,6-diméthyl-5-(propionyloxy)tétrahydro-2H-pyran-2-yl]oxy}-4-(diméthylamino)-3-hydroxy-6-méth yltétrahydro-2H-pyran-2-yl]oxy}-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-4-yle (non-preferred name) [French] [ACD/IUPAC Name]
357-70-0 [RN]
55881-07-7 [RN]
Galantamine [INN] [USAN] [Wiki]
MFCD00869591
Midecamycin acetate [JP15]
UNII:3T48CPS7U2

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 878.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 145.1±6.0 kJ/mol
    Flash Point: 485.2±34.3 °C
    Index of Refraction: 1.525
    Molar Refractivity: 227.5±0.4 cm3
    #H bond acceptors: 18
    #H bond donors: 1
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 3
    ACD/LogP: 5.25
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 28.05
    ACD/KOC (pH 5.5): 117.49
    ACD/LogD (pH 7.4): 4.30
    ACD/BCF (pH 7.4): 957.00
    ACD/KOC (pH 7.4): 4008.57
    Polar Surface Area: 218 Å2
    Polarizability: 90.2±0.5 10-24cm3
    Surface Tension: 49.2±5.0 dyne/cm
    Molar Volume: 742.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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