ChemSpider 2D Image | (2R,3S,4R,5R)-5-[6-Amino-2-(1-hexyn-1-yl)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name) | C16H20N6O4

(2R,3S,4R,5R)-5-[6-Amino-2-(1-hexyn-1-yl)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name)

  • Molecular FormulaC16H20N6O4
  • Average mass360.368 Da
  • Monoisotopic mass360.154602 Da
  • ChemSpider ID129180364

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,4R,5R)-5-[6-Amino-2-(1-hexin-1-yl)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furancarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-[6-Amino-2-(1-hexyn-1-yl)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-[6-Amino-2-(1-hexyn-1-yl)-9H-purin-9-yl]-3,4-dihydroxytétrahydro-2-furanecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 798.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.5±35.7 °C
Index of Refraction: 1.744
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.11
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.12
Polar Surface Area: 162 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 220.5±7.0 cm3

Click to predict properties on the Chemicalize site


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