ChemSpider 2D Image | 1-[2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] butanedioate | C12H15N5O6

1-[2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] butanedioate

  • Molecular FormulaC12H15N5O6
  • Average mass325.277 Da
  • Monoisotopic mass325.102234 Da
  • ChemSpider ID25064014

More details:

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

1-[2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] butanedioate
4-{2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethoxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethoxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
59298-42-9 [RN]
Acide 4-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)méthoxy]éthoxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[2-[(2-amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl] ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1205839/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 717.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 387.7±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 74.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -4.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 76.5±7.0 dyne/cm
Molar Volume: 192.6±7.0 cm3

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