ChemSpider 2D Image | 1-[6-Amino-2-(4-pyridinyl)-9H-purin-9-yl]-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol | C30H32N8O

1-[6-Amino-2-(4-pyridinyl)-9H-purin-9-yl]-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol

  • Molecular FormulaC30H32N8O
  • Average mass520.628 Da
  • Monoisotopic mass520.269897 Da
  • ChemSpider ID23176245

More details:

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

1-[6-Amino-2-(4-pyridinyl)-9H-purin-9-yl]-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol [German] [ACD/IUPAC Name]
1-[6-Amino-2-(4-pyridinyl)-9H-purin-9-yl]-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol [ACD/IUPAC Name]
1-[6-Amino-2-(4-pyridinyl)-9H-purin-9-yl]-3-[4-(diphénylméthyl)-1-pipérazinyl]-2-propanol [French] [ACD/IUPAC Name]
1-[6-amino-2-(pyridin-4-yl)-9H-purin-9-yl]-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol
9H-purine-9-ethanol, 6-amino-α-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-(4-pyridinyl)- [ACD/Index Name]
1-(6-Amino-2-pyridin-4-yl-purin-9-yl)-3-(4-benzhydryl-piperazin-1-yl)-propan-2-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL313719/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.5±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 13.41
ACD/KOC (pH 5.5): 106.16
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 157.65
ACD/KOC (pH 7.4): 1248.30
Polar Surface Area: 109 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 389.0±7.0 cm3

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