Found 21 results

Search term: MF = 'C_{42}H_{67}NO_{16}'
ChemSpider 2D Image | (4S,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-5-acetoxy-4-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran -2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl propanoate | C42H67NO16

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

  • Molecular FormulaC42H67NO16
  • Average mass841.979 Da
  • Monoisotopic mass841.445984 Da
  • ChemSpider ID4950254

  • 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

(4S,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-5-acetoxy-4-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran -2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl propanoate [ACD/IUPAC Name]
(4S,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-5-acetoxy-4-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran -2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl-propanoat [German] [ACD/IUPAC Name]
Propanoate de (4S,5S,6S,7R,9R,10R,11E,13E,16R)-10-acétoxy-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-5-acétoxy-4-hydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-4-(diméthylamino)-3-hydroxy-6-méthyltétra hydro-2H-pyran-2-yl]oxy}-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-4-yle [French] [ACD/IUPAC Name]
65178-01-0 [RN]
9,4''-Diacetyl-4''-depropionylmidecamycin
Leucomycin V, 4(sup B),9-diacetate 3-propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 868.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.4±6.0 kJ/mol
Flash Point: 479.0±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 213.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 27.64
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 126.77
ACD/KOC (pH 7.4): 943.17
Polar Surface Area: 212 Å2
Polarizability: 84.6±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 689.3±5.0 cm3

Click to predict properties on the Chemicalize site


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