ChemSpider 2D Image | (1'S,3R,3'S,7a'S)-1'-[3-(Allyloxy)benzoyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione | C31H27N3O4

(1'S,3R,3'S,7a'S)-1'-[3-(Allyloxy)benzoyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

  • Molecular FormulaC31H27N3O4
  • Average mass505.564 Da
  • Monoisotopic mass505.200165 Da
  • ChemSpider ID17469597
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1'S,3R,3'S,7a'S)-1'-[3-(Allyloxy)benzoyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dion [German] [ACD/IUPAC Name]
(1'S,3R,3'S,7a'S)-1'-[3-(Allyloxy)benzoyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione [ACD/IUPAC Name]
(1'S,3R,3'S,7a'S)-1'-[3-(Allyloxy)benzoyl]-5',6',7',7a'-tétrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione [French] [ACD/IUPAC Name]
Dispiro[3H-indole-3,2'(3'H)-[1H]pyrrolizine-3',3''-[3H]indole]-2,2''(1''H,1H)-dione, 5',6',7',7'a-tetrahydro-1'-[3-(2-propen-1-yloxy)benzoyl]-, (1'S,3R,3'S,7a'S)- [ACD/Index Name]
956936-81-5 [RN]
C31H27N3O4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 749.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.3±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13304.27
ACD/KOC (pH 5.5): 30986.82
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13558.10
ACD/KOC (pH 7.4): 31578.02
Polar Surface Area: 88 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 359.3±5.0 cm3

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