ChemSpider 2D Image | (2S,3aS,9a'S,12aS)-3a-Hydroxy-2',2',4,4-tetramethyl-1,1',3a,4,9a',12a-hexahydrospiro[furo[2',3':5,6]pyrido[2,1-b]quinazoline-2,9'-imidazo[1,2-a]indole]-3',5,11(2'H)-trione | C27H26N4O5

(2S,3aS,9a'S,12aS)-3a-Hydroxy-2',2',4,4-tetramethyl-1,1',3a,4,9a',12a-hexahydrospiro[furo[2',3':5,6]pyrido[2,1-b]quinazoline-2,9'-imidazo[1,2-a]indole]-3',5,11(2'H)-trione

  • Molecular FormulaC27H26N4O5
  • Average mass486.519 Da
  • Monoisotopic mass486.190308 Da
  • ChemSpider ID40256882

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3aS,9a'S,12aS)-3a-Hydroxy-2',2',4,4-tetramethyl-1,1',3a,4,9a',12a-hexahydrospiro[furo[2',3':5,6]pyrido[2,1-b]quinazoline-2,9'-imidazo[1,2-a]indole]-3',5,11(2'H)-trione [ACD/IUPAC Name]
Spiro[2H-furo[2',3':5,6]pyrido[2,1-b]quinazoline-2,9'-[9H]imidazo[1,2-a]indole]-3',5,11(2'H)-trione, 1,1',3a,4,9'a,12a-hexahydro-3a-hydroxy-2',2',4,4-tetramethyl-, (2S,3aS,9a'S,12aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 714.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.9±35.7 °C
Index of Refraction: 1.769
Molar Refractivity: 129.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 8.25
ACD/KOC (pH 5.5): 119.46
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.45
ACD/KOC (pH 7.4): 310.49
Polar Surface Area: 112 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 67.2±7.0 dyne/cm
Molar Volume: 311.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement