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Search term: VQDCOMSLMASLMJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4-{3-[2-(4-Aminophenyl)ethyl]-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl}phenoxy)acetic acid | C24H25N5O5

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

  • Molecular FormulaC24H25N5O5
  • Average mass463.486 Da
  • Monoisotopic mass463.185577 Da
  • ChemSpider ID23234038

More details:

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

(4-{3-[2-(4-Aminophenyl)ethyl]-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl}phenoxy)acetic acid [ACD/IUPAC Name]
(4-{3-[2-(4-Aminophenyl)ethyl]-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl}phenoxy)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[3-[2-(4-aminophenyl)ethyl]-2,3,6,9-tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl]phenoxy]- [ACD/Index Name]
Acide (4-{3-[2-(4-aminophényl)éthyl]-2,6-dioxo-1-propyl-2,3,6,7-tétrahydro-1H-purin-8-yl}phénoxy)acétique [French] [ACD/IUPAC Name]
(4-{3-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-1-propyl-2,3,6,9-tetrahydro-1H-purin-8-yl}-phenoxy)-acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL351481/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 777.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.8±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 338.0±3.0 cm3

Click to predict properties on the Chemicalize site


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