ChemSpider 2D Image | 4-HYDROXYPHENYTOIN O-GLUCURONIDE | C21H20N2O9

4-HYDROXYPHENYTOIN O-GLUCURONIDE

  • Molecular FormulaC21H20N2O9
  • Average mass444.392 Da
  • Monoisotopic mass444.116882 Da
  • ChemSpider ID52083773

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

127708-89-8 [RN]
2,4-Imidazolidinedione, 5-[4-(β-D-glucopyranuronosyloxy)phenyl]-5-phenyl-, (5S)- [ACD/Index Name]
4-[(4S)-2,5-Dioxo-4-phenyl-4-imidazolidinyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(4S)-2,5-Dioxo-4-phenyl-4-imidazolidinyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4-HYDROXYPHENYTOIN O-GLUCURONIDE
Acide β-D-glucopyranosiduronique de 4-[(4S)-2,5-dioxo-4-phényl-4-imidazolidinyl]phényle [French] [ACD/IUPAC Name]

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

G702A8B63R [DBID]
UNII:G702A8B63R [DBID]

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: 1.671
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement