ChemSpider 2D Image | Leucomycin V, 3-acetate 4B-(3-methylbutanoate) 9-propanoate | C45H73NO16

Leucomycin V, 3-acetate 4B-(3-methylbutanoate) 9-propanoate

  • Molecular FormulaC45H73NO16
  • Average mass884.058 Da
  • Monoisotopic mass883.492920 Da
  • ChemSpider ID30791857

  • 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,11E,13E,16R)-4-Acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)- 5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate [ACD/IUPAC Name]
(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-Acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)- 5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acétoxy-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)-10-(propionyloxy)oxacyclohexadéca-11,13-dién-6-yl]ox y}-4-(diméthylamino)-5-hydroxy-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-diméthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
40922-77-8 [RN]
Leucomycin V, 3-acetate 4B-(3-methylbutanoate) 9-propanoate
255-140-7 [EINECS]
D05351
Josamy (TN)
Josamycin Propionate
Josamycin propionate (JP15)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 887.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 490.3±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 227.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 17.86
ACD/KOC (pH 5.5): 85.05
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 609.33
ACD/KOC (pH 7.4): 2901.68
Polar Surface Area: 212 Å2
Polarizability: 90.1±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 737.8±5.0 cm3

Click to predict properties on the Chemicalize site


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