ChemSpider 2D Image | {[2-(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]methyl}phosphonic acid | C9H14N5O4P

{[2-(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]methyl}phosphonic acid

  • Molecular FormulaC9H14N5O4P
  • Average mass287.212 Da
  • Monoisotopic mass287.078339 Da
  • ChemSpider ID28476759

More details:

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

{[2-(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]methyl}phosphonic acid [ACD/IUPAC Name]
{[2-(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]methyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)éthoxy]méthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]methyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL2074852/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 719.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 389.2±35.7 °C
Index of Refraction: 1.770
Molar Refractivity: 63.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 103.8±7.0 dyne/cm
Molar Volume: 153.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement