ChemSpider 2D Image | 2-Amino-8-[(1S)-1-amino-3-{[amino(nitroso)methyl]amino}propyl]-7H-purin-6-ol | C9H15N9O2

2-Amino-8-[(1S)-1-amino-3-{[amino(nitroso)methyl]amino}propyl]-7H-purin-6-ol

  • Molecular FormulaC9H15N9O2
  • Average mass281.275 Da
  • Monoisotopic mass281.134857 Da
  • ChemSpider ID94702208

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Amino-8-[(1S)-1-amino-3-{[amino(nitroso)methyl]amino}propyl]-7H-purin-6-ol [German] [ACD/IUPAC Name]
2-Amino-8-[(1S)-1-amino-3-{[amino(nitroso)methyl]amino}propyl]-7H-purin-6-ol [ACD/IUPAC Name]
2-Amino-8-[(1S)-1-amino-3-{[amino(nitroso)méthyl]amino}propyl]-7H-purin-6-ol [French] [ACD/IUPAC Name]
7H-Purin-6-ol, 2-amino-8-[(1S)-1-amino-3-[(aminonitrosomethyl)amino]propyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 670.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 359.3±34.3 °C
Index of Refraction: 1.952
Molar Refractivity: 64.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -5.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 121.2±7.0 dyne/cm
Molar Volume: 133.7±7.0 cm3

Click to predict properties on the Chemicalize site


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