Found 1 result

Search term: 78435460 (Found by CSID)
ChemSpider 2D Image | 5-Hydroxy-11-methoxy-6'-methyl-9-(2-oxoheptyl)-3',4',5',6'-tetrahydro-8H-spiro[isochromeno[5,6-b][1,4]benzodioxepine-2,2'-pyran]-4,8(1H)-dione | C29H32O9

5-Hydroxy-11-methoxy-6'-methyl-9-(2-oxoheptyl)-3',4',5',6'-tetrahydro-8H-spiro[isochromeno[5,6-b][1,4]benzodioxepine-2,2'-pyran]-4,8(1H)-dione

  • Molecular FormulaC29H32O9
  • Average mass524.559 Da
  • Monoisotopic mass524.204651 Da
  • ChemSpider ID78435460

More details:

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

5-Hydroxy-11-methoxy-6'-methyl-9-(2-oxoheptyl)-3',4',5',6'-tetrahydro-8H-spiro[isochromeno[5,6-b][1,4]benzodioxepine-2,2'-pyran]-4,8(1H)-dione [ACD/IUPAC Name]
Spiro[2H-pyran-2,2'-[2H,8H-3,7,13]trioxabenzo[5,6]cyclohepta[1,2-a]naphthalene]-4',8'(1'H)-dione, 3,4,5,6-tetrahydro-5'-hydroxy-11'-methoxy-6-methyl-9'-(2-oxoheptyl)- [ACD/Index Name]
Dehydrocollatolic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 754.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 249.8±26.4 °C
Index of Refraction: 1.614
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2756.95
ACD/KOC (pH 5.5): 9926.28
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 493.34
ACD/KOC (pH 7.4): 1776.24
Polar Surface Area: 118 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 385.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement