ChemSpider 2D Image | (2R,3R,4S)-4-(1-Acetyl-1H-indol-3-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide | C31H43N3O8

(2R,3R,4S)-4-(1-Acetyl-1H-indol-3-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide

  • Molecular FormulaC31H43N3O8
  • Average mass585.688 Da
  • Monoisotopic mass585.304993 Da
  • ChemSpider ID5101153

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-4-(1-Acetyl-1H-indol-3-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyran-6-carboxamid [German] [ACD/IUPAC Name]
(2R,3R,4S)-4-(1-Acetyl-1H-indol-3-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide [ACD/IUPAC Name]
(2R,3R,4S)-4-(1-Acétyl-1H-indol-3-yl)-2-éthoxy-3-{2-[2-(2-hydroxyéthoxy)éthoxy]éthyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydro-2H-pyrane-6-carboxamide [French] [ACD/IUPAC Name]
2H-Pyran-6-carboxamide, 4-(1-acetyl-1H-indol-3-yl)-2-ethoxy-3,4-dihydro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-, (2R,3R,4S)- [ACD/Index Name]
DHPC1.2_000260

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

DHPC1_003167 [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: 817.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.2±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 80.66
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 80.66
Polar Surface Area: 129 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 456.3±7.0 cm3

Click to predict properties on the Chemicalize site


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