ChemSpider 2D Image | (9S)-9-(4-Fluoro-3-iodophenyl)-2,3,8a,9-tetrahydro-5H-pyrano[3,4-b]thieno[2,3-e]pyridin-8(7H)-one 1,1-dioxide | C16H13FINO4S

(9S)-9-(4-Fluoro-3-iodophenyl)-2,3,8a,9-tetrahydro-5H-pyrano[3,4-b]thieno[2,3-e]pyridin-8(7H)-one 1,1-dioxide

  • Molecular FormulaC16H13FINO4S
  • Average mass461.247 Da
  • Monoisotopic mass460.959381 Da
  • ChemSpider ID34948444

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(9S) 1,1-Dioxyde de 9-(4-fluoro-3-iodophényl)-2,3,8a,9-tétrahydro-5H-pyrano[3,4-b]thiéno[2,3-e]pyridin-8(7H)-one [French] [ACD/IUPAC Name]
(9S)-9-(4-Fluor-3-iodphenyl)-2,3,8a,9-tetrahydro-5H-pyrano[3,4-b]thieno[2,3-e]pyridin-8(7H)-on-1,1-dioxid [German] [ACD/IUPAC Name]
(9S)-9-(4-Fluoro-3-iodophenyl)-2,3,8a,9-tetrahydro-5H-pyrano[3,4-b]thieno[2,3-e]pyridin-8(7H)-one 1,1-dioxide [ACD/IUPAC Name]
5H-Pyrano[3,4-b]thieno[2,3-e]pyridin-8(7H)-one, 9-(4-fluoro-3-iodophenyl)-2,3,8a,9-tetrahydro-, 1,1-dioxide, (9S)- [ACD/Index Name]
A-312110

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

Density: 2.0±0.1 g/cm3
Boiling Point: 637.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.3±31.5 °C
Index of Refraction: 1.770
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.11
ACD/KOC (pH 5.5): 359.56
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.11
ACD/KOC (pH 7.4): 359.56
Polar Surface Area: 81 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 225.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement