ChemSpider 2D Image | (1'S,3R,3'S,7a'S)-1'-(3,4-Dimethoxybenzoyl)-5'',7''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione | C32H31N3O5

(1'S,3R,3'S,7a'S)-1'-(3,4-Dimethoxybenzoyl)-5'',7''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID17469942
  • 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'-(3,4-Dimethoxybenzoyl)-5'',7''-dimethyl-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'-(3,4-Dimethoxybenzoyl)-5'',7''-dimethyl-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'-(3,4-Diméthoxybenzoyl)-5'',7''-diméthyl-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, 1'-(3,4-dimethoxybenzoyl)-5',6',7',7'a-tetrahydro-5'',7''-dimethyl-, (1'S,3R,3'S,7a'S)- [ACD/Index Name]
957030-26-1 [RN]
C32H31N3O5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 755.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.9±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14717.22
ACD/KOC (pH 5.5): 32866.98
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15709.13
ACD/KOC (pH 7.4): 35082.16
Polar Surface Area: 97 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 384.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement