Found 2 results

Search term: XOUNBUUOGVBBBX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-7-Chloro-1-[4-(hexyloxy)-3-methoxyphenyl]-2-[(2R)-tetrahydro-2-furanylmethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C29H32ClNO6

(1S)-7-Chloro-1-[4-(hexyloxy)-3-methoxyphenyl]-2-[(2R)-tetrahydro-2-furanylmethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC29H32ClNO6
  • Average mass526.021 Da
  • Monoisotopic mass525.191833 Da
  • ChemSpider ID62453040

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-7-Chlor-1-[4-(hexyloxy)-3-methoxyphenyl]-2-[(2R)-tetrahydro-2-furanylmethyl]-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
(1S)-7-Chloro-1-[4-(hexyloxy)-3-methoxyphenyl]-2-[(2R)-tetrahydro-2-furanylmethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
(1S)-7-Chloro-1-[4-(hexyloxy)-3-méthoxyphényl]-2-[(2R)-tétrahydro-2-furanylméthyl]-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 7-chloro-1-[4-(hexyloxy)-3-methoxyphenyl]-1,2-dihydro-2-[[(2R)-tetrahydro-2-furanyl]methyl]-, (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: 686.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.9±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4004.11
ACD/KOC (pH 5.5): 13190.69
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4004.11
ACD/KOC (pH 7.4): 13190.69
Polar Surface Area: 74 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 398.0±5.0 cm3

Click to predict properties on the Chemicalize site


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