ChemSpider 2D Image | 2-Amino-9-{5-O-[{[5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(phosphonomethoxy)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-3,9-dihydro-6H-purin-6-one | C20H26N10O13P2

2-Amino-9-{5-O-[{[5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(phosphonomethoxy)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC20H26N10O13P2
  • Average mass676.427 Da
  • Monoisotopic mass676.115601 Da
  • ChemSpider ID2339170

More details:

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

2-Amino-9-{5-O-[{[5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(phosphonomethoxy)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[{[5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(phosphonomethoxy)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]-2-desoxypentofuranosyl}-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[{[5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(phosphonométhoxy)tétrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]-2-désoxypentofuranosyl}-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[5-O-[[[5-(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)tetrahydro-2-(phosphonomethoxy)-3-furanyl]oxy]hydroxyphosphinyl]-2-deoxypentofuranosyl]-3,9-dihydro- [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1218.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 189.7±3.0 kJ/mol
Flash Point: 690.6±37.1 °C
Index of Refraction: 1.981
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.63
ACD/LogD (pH 5.5): -9.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 351 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 158.7±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

Click to predict properties on the Chemicalize site


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