ChemSpider 2D Image | 4-(Dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-6-methyltetrahydro-2
H-pyran-3-yl 3-(propionyloxy)propanoate | C43H75NO16

4-(Dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-6-methyltetrahydro-2 H-pyran-3-yl 3-(propionyloxy)propanoate

  • Molecular FormulaC43H75NO16
  • Average mass862.053 Da
  • Monoisotopic mass861.508606 Da
  • ChemSpider ID2695144

More details:






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

3-(Propionyloxy)propanoate de 4-(diméthylamino)-2-({14-éthyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexaméthyl-2,10-dioxooxacyclotétradécan- 6-yl}oxy)-6-méthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
4-(Dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-6-methyltetrahydro-2 H-pyran-3-yl 3-(propionyloxy)propanoate [ACD/IUPAC Name]
4-(Dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-6-methyltetrahydro-2 H-pyran-3-yl-3-(propionyloxy)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 847.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.1±6.0 kJ/mol
Flash Point: 466.4±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 219.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 16.63
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 101.81
ACD/KOC (pH 7.4): 732.99
Polar Surface Area: 226 Å2
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 711.0±5.0 cm3

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