ChemSpider 2D Image | 1-(2-Deoxy-beta-D-threo-pentofuranosyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C10H12IN5O3

1-(2-Deoxy-β-D-threo-pentofuranosyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC10H12IN5O3
  • Average mass377.138 Da
  • Monoisotopic mass376.998474 Da
  • ChemSpider ID128926998

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-β-D-threo-pentofuranosyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1-(2-Desoxy-β-D-threo-pentofuranosyl)-3-iod-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
1-(2-Désoxy-β-D-thréo-pentofuranosyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(2-deoxy-β-D-threo-pentofuranosyl)-3-iodo- [ACD/Index Name]
(2R,3S,5R)-5-(4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
187479-00-1 [RN]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 655.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.2±31.5 °C
Index of Refraction: 1.951
Molar Refractivity: 71.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.06
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.17
Polar Surface Area: 119 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 100.2±7.0 dyne/cm
Molar Volume: 148.5±7.0 cm3

Click to predict properties on the Chemicalize site


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