ChemSpider 2D Image | 9-(2-Deoxy-3,5-di-O-phosphonopentofuranosyl)-N-methoxy-9H-purin-6-amine | C11H17N5O10P2

9-(2-Deoxy-3,5-di-O-phosphonopentofuranosyl)-N-methoxy-9H-purin-6-amine

  • Molecular FormulaC11H17N5O10P2
  • Average mass441.228 Da
  • Monoisotopic mass441.045074 Da
  • ChemSpider ID23138651

More details:

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

9-(2-Deoxy-3,5-di-O-phosphonopentofuranosyl)-N-methoxy-9H-purin-6-amine [ACD/IUPAC Name]
9-(2-Desoxy-3,5-di-O-phosphonopentofuranosyl)-N-methoxy-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(2-Désoxy-3,5-di-O-phosphonopentofuranosyl)-N-méthoxy-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)-N-methoxy- [ACD/Index Name]
CHEMBL44317
Phosphoric acid mono-[5-(6-methoxyamino-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester

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

Density: 2.2±0.1 g/cm3
Boiling Point: 786.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.3±35.7 °C
Index of Refraction: 1.788
Molar Refractivity: 86.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.24
ACD/LogD (pH 5.5): -7.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 121.7±7.0 dyne/cm
Molar Volume: 203.4±7.0 cm3

Click to predict properties on the Chemicalize site


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