ChemSpider 2D Image | (1S)-5'-Methoxy-1'-{[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}-3H-spiro[cyclohexane-1,3'-indole]-2',3(1'H)-dione | C24H27NO6

(1S)-5'-Methoxy-1'-{[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}-3H-spiro[cyclohexane-1,3'-indole]-2',3(1'H)-dione

  • Molecular FormulaC24H27NO6
  • Average mass425.474 Da
  • Monoisotopic mass425.183838 Da
  • ChemSpider ID21199724

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-5'-Methoxy-1'-{[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}-3H-spiro[cyclohexane-1,3'-indole]-2',3(1'H)-dion [German] [ACD/IUPAC Name]
(1S)-5'-Methoxy-1'-{[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}-3H-spiro[cyclohexane-1,3'-indole]-2',3(1'H)-dione [ACD/IUPAC Name]
(1S)-5'-Méthoxy-1'-{[(1S,4R)-4,7,7-triméthyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}-3H-spiro[cyclohexane-1,3'-indole]-2',3(1'H)-dione [French] [ACD/IUPAC Name]
Spiro[cyclohexane-1,3'-[3H]indole]-2',3(1'H)-dione, 5'-methoxy-1'-[[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl]-, (1S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.0±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.36
ACD/KOC (pH 5.5): 198.24
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.36
ACD/KOC (pH 7.4): 198.24
Polar Surface Area: 90 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement