ChemSpider 2D Image | 4-(6-Amino-9H-purin-9-yl)-1,5-anhydro-2,3,4-trideoxy-1-phosphonohex-1-enitol | C11H14N5O5P

4-(6-Amino-9H-purin-9-yl)-1,5-anhydro-2,3,4-trideoxy-1-phosphonohex-1-enitol

  • Molecular FormulaC11H14N5O5P
  • Average mass327.233 Da
  • Monoisotopic mass327.073242 Da
  • ChemSpider ID20033460

More details:

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

4-(6-Amino-9H-purin-9-yl)-1,5-anhydro-2,3,4-trideoxy-1-phosphonohex-1-enitol [ACD/IUPAC Name]
4-(6-Amino-9H-purin-9-yl)-1,5-anhydro-2,3,4-tridesoxy-1-phosphonohex-1-enitol [German] [ACD/IUPAC Name]
4-(6-Amino-9H-purin-9-yl)-1,5-anhydro-2,3,4-tridésoxy-1-phosphonohex-1-énitol [French] [ACD/IUPAC Name]
Hex-1-enitol, 4-(6-amino-9H-purin-9-yl)-1,5-anhydro-2,3,4-trideoxy-1-C-phosphono- [ACD/Index Name]
[5-(6-Amino-purin-9-yl)-6-hydroxymethyl-5,6-dihydro-4H-pyran-2-yl]-phosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL282420/

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

Density: 2.0±0.1 g/cm3
Boiling Point: 757.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.0±35.7 °C
Index of Refraction: 1.849
Molar Refractivity: 72.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.52
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 114.1±7.0 dyne/cm
Molar Volume: 162.0±7.0 cm3

Click to predict properties on the Chemicalize site


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