ChemSpider 2D Image | 3-[5-Deoxy-5-(methylsulfonyl)-beta-D-ribofuranosyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine | C10H14N6O5S

3-[5-Deoxy-5-(methylsulfonyl)-β-D-ribofuranosyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

  • Molecular FormulaC10H14N6O5S
  • Average mass330.320 Da
  • Monoisotopic mass330.074646 Da
  • ChemSpider ID62988511
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-[5-Deoxy-5-(methylsulfonyl)-β-D-ribofuranosyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine [ACD/IUPAC Name]
3-[5-Desoxy-5-(methylsulfonyl)-β-D-ribofuranosyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amin [German] [ACD/IUPAC Name]
3-[5-Désoxy-5-(méthylsulfonyl)-β-D-ribofuranosyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine [French] [ACD/IUPAC Name]
3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 3-[5-deoxy-5-(methylsulfonyl)-β-D-ribofuranosyl]- [ACD/Index Name]
53458-36-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point: 799.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.1±32.9 °C
Index of Refraction: 1.893
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.55
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 175 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 108.7±7.0 dyne/cm
Molar Volume: 155.0±7.0 cm3

Click to predict properties on the Chemicalize site






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