ChemSpider 2D Image | (9S,12S)-3-[3-(5-Methoxy-1H-indol-3-yl)propanoyl]-9,12-dimethyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione | C28H40N4O5

(9S,12S)-3-[3-(5-Methoxy-1H-indol-3-yl)propanoyl]-9,12-dimethyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID77210468

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9S,12S)-3-[3-(5-Methoxy-1H-indol-3-yl)propanoyl]-9,12-dimethyl-14-oxa-3,8,11-triazaspiro[5.12]octadecan-7,10-dion [German] [ACD/IUPAC Name]
(9S,12S)-3-[3-(5-Methoxy-1H-indol-3-yl)propanoyl]-9,12-dimethyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione [ACD/IUPAC Name]
(9S,12S)-3-[3-(5-Méthoxy-1H-indol-3-yl)propanoyl]-9,12-diméthyl-14-oxa-3,8,11-triazaspiro[5.12]octadécane-7,10-dione [French] [ACD/IUPAC Name]
14-Oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione, 3-[3-(5-methoxy-1H-indol-3-yl)-1-oxopropyl]-9,12-dimethyl-, (9S,12S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 841.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 462.5±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.31
ACD/KOC (pH 5.5): 380.98
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.31
ACD/KOC (pH 7.4): 380.98
Polar Surface Area: 113 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 416.6±5.0 cm3

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