ChemSpider 2D Image | 6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-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-10-(propyla mino)oxacyclotetradecan-2-one | C40H76N2O12

6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-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-10-(propyla mino)oxacyclotetradecan-2-one

  • Molecular FormulaC40H76N2O12
  • Average mass777.038 Da
  • Monoisotopic mass776.539856 Da
  • ChemSpider ID79508

More details:

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

6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-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-10-(propyla mino)oxacyclotetradecan-2-on [German] [ACD/IUPAC Name]
6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-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-10-(propyla mino)oxacyclotetradecan-2-one [ACD/IUPAC Name]
6-{[4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-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-10-(propyla mino)oxacyclotétradécan-2-one [French] [ACD/IUPAC Name]
119904-03-9 [RN]
6-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLOXAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-[(5-HYDROXY-4-METHOXY-4,6-DIMETHYLOXAN-2-YL)OXY]-3,5,7,9,11,13-HEXAMETHYL-10-(PROPYLAMINO)-1-OXACYCLOTETRADECAN-2-ONE
9-Deoxy-9-(propylamino)erythromycin
9-N-(1-Propyl)erythromyclamine
Erythromycin, 9-deoxy-9-(propylamino)-

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

LY 281389 [DBID]
LY-281389 [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: 830.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.3±6.0 kJ/mol
Flash Point: 456.0±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 206.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.83
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 666.4±5.0 cm3

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