ChemSpider 2D Image | (2,6-Dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetic acid | C7H6N4O4

(2,6-Dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetic acid

  • Molecular FormulaC7H6N4O4
  • Average mass210.147 Da
  • Monoisotopic mass210.038910 Da
  • ChemSpider ID21787362

More details:

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

(2,6-Dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetic acid [ACD/IUPAC Name]
(2,6-Dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Purine-8-acetic acid, 2,3,6,7-tetrahydro-2,6-dioxo- [ACD/Index Name]
Acide (2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)acétique [French] [ACD/IUPAC Name]
xanthine-8-acetic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.40
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 96.2±3.0 dyne/cm
Molar Volume: 120.3±3.0 cm3

Click to predict properties on the Chemicalize site


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