ChemSpider 2D Image | 2,2'-{[2-Oxo-2-(1H-purin-6-ylamino)ethyl]imino}diacetic acid | C11H12N6O5

2,2'-{[2-Oxo-2-(1H-purin-6-ylamino)ethyl]imino}diacetic acid

  • Molecular FormulaC11H12N6O5
  • Average mass308.250 Da
  • Monoisotopic mass308.086914 Da
  • ChemSpider ID28686177

More details:

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

142210-17-1 [RN]
2,2'-((2-((1H-Purin-6-yl)amino)-2-oxoethyl)azanediyl)diacetic acid
2,2'-{[2-Oxo-2-(1H-purin-6-ylamino)ethyl]imino}diacetic acid [ACD/IUPAC Name]
2,2'-{[2-Oxo-2-(1H-purin-6-ylamino)ethyl]imino}diessigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2,2'-[[2-oxo-2-(1H-purin-6-ylamino)ethyl]imino]bis- [ACD/Index Name]
Acide 2,2'-{[2-oxo-2-(1H-purin-6-ylamino)éthyl]imino}diacétique [French] [ACD/IUPAC Name]
[(CARBOXYMETHYL)({[(7H-PURIN-6-YL)CARBAMOYL]METHYL})AMINO]ACETIC ACID
2,2'-({2-Oxo-2-[(7H-purin-6-yl)amino]ethyl}azanediyl)diacetic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.763
Molar Refractivity: 71.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -4.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 87.6±7.0 dyne/cm
Molar Volume: 173.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement