ChemSpider 2D Image | (2S,3R,4R)-2-Ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-oxo-4H-chromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide | C34H40N2O9

(2S,3R,4R)-2-Ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-oxo-4H-chromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

  • Molecular FormulaC34H40N2O9
  • Average mass620.689 Da
  • Monoisotopic mass620.273376 Da
  • ChemSpider ID5103172

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4R)-2-Ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-oxo-4H-chromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamid [German] [ACD/IUPAC Name]
(2S,3R,4R)-2-Ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-oxo-4H-chromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide [ACD/IUPAC Name]
(2S,3R,4R)-2-Éthoxy-3-{2-[2-(2-hydroxyéthoxy)éthoxy]éthyl}-N-[2-(5-méthoxy-1H-indol-3-yl)éthyl]-4-(4-oxo-4H-chromén-3-yl)-3,4-dihydro-2H-pyrane-6-carboxamide [French] [ACD/IUPAC Name]
2H-Pyran-6-carboxamide, 2-ethoxy-3,4-dihydro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-oxo-4H-1-benzopyran-3-yl)-, (2S,3R,4R)- [ACD/Index Name]

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

DHPC1_002653 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 856.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 471.8±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 166.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.11
ACD/KOC (pH 5.5): 435.39
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.11
ACD/KOC (pH 7.4): 435.39
Polar Surface Area: 138 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 471.3±5.0 cm3

Click to predict properties on the Chemicalize site


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