ChemSpider 2D Image | (1S)-1,4-Anhydro-1-[7-oxo(1,6-~2~H_2_)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-(O~2~,O~3~,O~5~-~2~H_3_)ribitol | C10H7D5N4O5

(1S)-1,4-Anhydro-1-[7-oxo(1,6-2H2)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-(O2,O3,O5-2H3)ribitol

  • Molecular FormulaC10H7D5N4O5
  • Average mass273.257 Da
  • Monoisotopic mass273.112152 Da
  • ChemSpider ID10555620
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(1S)-1,4-Anhydro-1-[7-oxo(1,6-2H2)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-(O2,O3,O5-2H3)ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[7-oxo(1,6-2H2)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-(O2,O3,O5-2H3)ribitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[7-oxo(1,6-2H2)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-(O2,O3,O5-2H3)ribitol [French] [ACD/IUPAC Name]
D-Ribitol-O2,O3,O5-d3, 1,4-anhydro-1-C-(6,7-dihydro-6-d-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-3-yl-1-d)-, (1S)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 777.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.0±32.9 °C
Index of Refraction: 1.922
Molar Refractivity: 58.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.13
Polar Surface Area: 140 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 110.0±7.0 dyne/cm
Molar Volume: 122.6±7.0 cm3

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