ChemSpider 2D Image | 6-{[4-(Dimethylamino)-5-hydroxy-6-{[(11E,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydr
oxy-2,4-dimethyltetrahydro-2H-pyran-3-yl butanoate | C42H69NO15

6-{[4-(Dimethylamino)-5-hydroxy-6-{[(11E,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydr oxy-2,4-dimethyltetrahydro-2H-pyran-3-yl butanoate

  • Molecular FormulaC42H69NO15
  • Average mass827.995 Da
  • Monoisotopic mass827.466736 Da
  • ChemSpider ID4949149
  • Double-bond stereo - Double-bond stereo


More details:






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

6-{[4-(Dimethylamino)-5-hydroxy-6-{[(11E,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydr oxy-2,4-dimethyltetrahydro-2H-pyran-3-yl butanoate [ACD/IUPAC Name]
6-{[4-(Dimethylamino)-5-hydroxy-6-{[(11E,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydr oxy-2,4-dimethyltetrahydro-2H-pyran-3-yl-butanoat [German] [ACD/IUPAC Name]
Butanoate de 6-{[4-(diméthylamino)-5-hydroxy-6-{[(11E,13E)-10-hydroxy-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)-4-(propionyloxy)oxacyclohexadéca-11,13-dién-6-yl]oxy}-2-méthyltétrahydro-2H-pyran-3-y l]oxy}-4-hydroxy-2,4-diméthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
35457-81-9 [RN]
Antibiotic SF 837A2
Leucomycin V, 4(sup B)-butanoate 3-propanoate
Mydecamycin-A2
SF-836-A2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 881.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.5±6.0 kJ/mol
Flash Point: 486.7±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: 4.06
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.58
ACD/KOC (pH 5.5): 21.26
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 87.86
ACD/KOC (pH 7.4): 725.51
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

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