ChemSpider 2D Image | 2-[(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]-3-pyridinyl hydrogen sulfate | C18H19N3O7S2

2-[(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]-3-pyridinyl hydrogen sulfate

  • Molecular FormulaC18H19N3O7S2
  • Average mass453.489 Da
  • Monoisotopic mass453.066437 Da
  • ChemSpider ID35031803

More details:

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

2,4-Thiazolidinedione, 5-[[4-[2-[methyl[3-(sulfooxy)-2-pyridinyl]amino]ethoxy]phenyl]methyl]- [ACD/Index Name]
2-[(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]-3-pyridinyl hydrogen sulfate [ACD/IUPAC Name]
2-[(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]-3-pyridinylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 2-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)méthyl]phénoxy}éthyl)(méthyl)amino]-3-pyridinyle [French] [ACD/IUPAC Name]
{2-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]pyridin-3-yl}oxidanesulfonic acid
o-O-sulfate rosiglitazone

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

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 74.0±3.0 dyne/cm
Molar Volume: 297.7±3.0 cm3

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