ChemSpider 2D Image | 1-Hexopyranosyluronosyl-1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium | C25H27NO7S

1-Hexopyranosyluronosyl-1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium

  • Molecular FormulaC25H27NO7S
  • Average mass485.549 Da
  • Monoisotopic mass485.150818 Da
  • ChemSpider ID35031761

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Hexopyranosyluronosyl-1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-yliden)piperidinium [German] [ACD/IUPAC Name]
1-Hexopyranosyluronosyl-1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium [ACD/IUPAC Name]
1-Hexopyranosyluronosyl-1-méthyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophén-4-ylidène)pipéridinium [French] [ACD/IUPAC Name]
Piperidinium, 4-(9,10-dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-hexopyranuronosyl-1-methyl-, inner salt [ACD/Index Name]
1-(6-carboxylato-3,4,5-trihydroxyoxan-2-yl)-1-methyl-4-{8-oxo-6-thiatricyclo[8.4.0.0�,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-ylidene}piperidin-1-ium
Ketotifen-N-glucuronide

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.92
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.92
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement