ChemSpider 2D Image | 2-[(6-Chloro-9H-purin-9-yl)methoxy]-1,3-propanediol | C9H11ClN4O3

2-[(6-Chloro-9H-purin-9-yl)methoxy]-1,3-propanediol

  • Molecular FormulaC9H11ClN4O3
  • Average mass258.662 Da
  • Monoisotopic mass258.051971 Da
  • ChemSpider ID28700905

More details:

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

1,3-Propanediol, 2-[(6-chloro-9H-purin-9-yl)methoxy]- [ACD/Index Name]
2-[(6-Chlor-9H-purin-9-yl)methoxy]-1,3-propandiol [German] [ACD/IUPAC Name]
2-[(6-Chloro-9H-purin-9-yl)methoxy]-1,3-propanediol [ACD/IUPAC Name]
2-[(6-Chloro-9H-purin-9-yl)méthoxy]-1,3-propanediol [French] [ACD/IUPAC Name]
2-[(6-Chloro-9H-purin-9-yl)methoxy]propane-1,3-diol
89419-24-9 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 523.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.5±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 59.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.55
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.55
Polar Surface Area: 93 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 155.8±7.0 cm3

Click to predict properties on the Chemicalize site


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