ChemSpider 2D Image | 1,5-Anhydro-2,6-dideoxy-2-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)-D-altritol | C16H19N7O5

1,5-Anhydro-2,6-dideoxy-2-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)-D-altritol

  • Molecular FormulaC16H19N7O5
  • Average mass389.366 Da
  • Monoisotopic mass389.144775 Da
  • ChemSpider ID80832594

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,5-Anhydro-2,6-dideoxy-2-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)-D-altritol [ACD/IUPAC Name]
1,5-Anhydro-2,6-didesoxy-2-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)-D-altritol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,6-didésoxy-2-{[(1-méthyl-1H-pyrazol-3-yl)carbonyl]amino}-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)-D-altritol [French] [ACD/IUPAC Name]
D-Altritol, 1,5-anhydro-2,6-dideoxy-6-(1,6-dihydro-6-oxo-9H-purin-9-yl)-2-[[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 907.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 502.8±34.3 °C
Index of Refraction: 1.819
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.20
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 156 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 84.4±7.0 dyne/cm
Molar Volume: 215.9±7.0 cm3

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