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Search term: WSTWMFPZDRAATE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {4-[1-(4-Aminobenzyl)-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]phenoxy}acetic acid | C23H23N5O5

{4-[1-(4-Aminobenzyl)-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]phenoxy}acetic acid

  • Molecular FormulaC23H23N5O5
  • Average mass449.459 Da
  • Monoisotopic mass449.169922 Da
  • ChemSpider ID23234006

More details:

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

{4-[1-(4-Aminobenzyl)-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]phenoxy}acetic acid [ACD/IUPAC Name]
{4-[1-(4-Aminobenzyl)-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[1-[(4-aminophenyl)methyl]-2,3,6,7-tetrahydro-2,6-dioxo-3-propyl-1H-purin-8-yl]phenoxy]- [ACD/Index Name]
Acide {4-[1-(4-aminobenzyl)-2,6-dioxo-3-propyl-2,3,6,7-tétrahydro-1H-purin-8-yl]phénoxy}acétique [French] [ACD/IUPAC Name]
{4-[1-(4-Amino-benzyl)-2,6-dioxo-3-propyl-2,3,6,9-tetrahydro-1H-purin-8-yl]-phenoxy}-acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.6±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 318.0±3.0 cm3

Click to predict properties on the Chemicalize site


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