ChemSpider 2D Image | (1'S,3S,3'S,6'S,9'S,10'R)-10'-Hydroxy-1-methoxy-1'-propionylspiro[indole-3,5'-[7]oxa[2]azatricyclo[4.3.1.0~3,9~]decan]-2(1H)-one | C19H22N2O5

(1'S,3S,3'S,6'S,9'S,10'R)-10'-Hydroxy-1-methoxy-1'-propionylspiro[indole-3,5'-[7]oxa[2]azatricyclo[4.3.1.03,9]decan]-2(1H)-one

  • Molecular FormulaC19H22N2O5
  • Average mass358.388 Da
  • Monoisotopic mass358.152863 Da
  • ChemSpider ID24719728

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1'S,3S,3'S,6'S,9'S,10'R)-10'-Hydroxy-1-methoxy-1'-propionylspiro[indole-3,5'-[7]oxa[2]azatricyclo[4.3.1.03,9]decan]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,5'-[7]oxa[2]azatricyclo[4.3.1.03,9]decan]-2(1H)-one, 10'-hydroxy-1-methoxy-1'-(1-oxopropyl)-, (1'S,3S,3'S,6'S,9'S,10'R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 554.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.9±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 24.28
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.13
ACD/KOC (pH 7.4): 178.20
Polar Surface Area: 88 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

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