ChemSpider 2D Image | 4-[(2,4,6-Trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl hexopyranoside | C17H18N2O9

4-[(2,4,6-Trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl hexopyranoside

  • Molecular FormulaC17H18N2O9
  • Average mass394.333 Da
  • Monoisotopic mass394.101227 Da
  • ChemSpider ID24624177

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-(hexopyranosyloxy)phenyl]methylene]- [ACD/Index Name]
4-[(2,4,6-Trioxotetrahydro-5(2H)-pyrimidinyliden)methyl]phenylhexopyranosid [German] [ACD/IUPAC Name]
4-[(2,4,6-Trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl hexopyranoside [ACD/IUPAC Name]
Hexopyranoside de 4-[(2,4,6-trioxotétrahydro-5(2H)-pyrimidinylidène)méthyl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.91
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 85.3±3.0 dyne/cm
Molar Volume: 242.9±3.0 cm3

Click to predict properties on the Chemicalize site


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