ChemSpider 2D Image | 6-{[6-{[(11E,13E)-4-Acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)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 butyrate | C41H67NO15

6-{[6-{[(11E,13E)-4-Acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)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 butyrate

  • Molecular FormulaC41H67NO15
  • Average mass813.968 Da
  • Monoisotopic mass813.451050 Da
  • ChemSpider ID4948652

  • Double-bond stereo - Double-bond stereo

More details:

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

6-{[6-{[(11E,13E)-4-Acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)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 butyrate [ACD/IUPAC Name]
6-{[6-{[(11E,13E)-4-Acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)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-ylbutyrat [German] [ACD/IUPAC Name]
Butanoate de 6-{[6-{[(11E,13E)-4-acétoxy-10-hydroxy-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}- 4-hydroxy-2,4-diméthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
18361-46-1 [RN]
Leucomycin A4
Leucomycin V, 3-acetate 4(sup B)-butanoate
Leukomycin A4

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

BRN 1678667 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 874.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.3±6.0 kJ/mol
Flash Point: 482.4±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 208.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 14.42
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 51.07
ACD/KOC (pH 7.4): 491.99
Polar Surface Area: 206 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 667.9±5.0 cm3

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