ChemSpider 2D Image | (1S)-1-[7-(~2~H_2_)Amino(1-~2~H)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-1,4-anhydro-D-(O~2~,O~3~,O~5~-~2~H_3_)ribitol | C10H7D6N5O4

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

  • Molecular FormulaC10H7D6N5O4
  • Average mass273.278 Da
  • Monoisotopic mass273.134399 Da
  • ChemSpider ID10555619

  • 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-[7-(2H2)Amino(1-2H)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-1,4-anhydro-D-(O2,O3,O5-2H3)ribitol [ACD/IUPAC Name]
(1S)-1-[7-(2H2)Amino(1-2H)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-1,4-anhydro-D-(O2,O3,O5-2H3)ribitol [German] [ACD/IUPAC Name]
(1S)-1-[7-(2H2)Amino(1-2H)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-1,4-anhydro-D-(O2,O3,O5-2H3)ribitol [French] [ACD/IUPAC Name]
D-Ribitol-O2,O3,O5-d3, 1-C-[7-(amino-d2)-1H-pyrazolo[4,3-d]pyrimidin-3-yl-1-d]-1,4-anhydro-, (1S)- [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: 709.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 382.9±32.9 °C
Index of Refraction: 1.803
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.04
Polar Surface Area: 150 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 124.9±3.0 dyne/cm
Molar Volume: 150.9±3.0 cm3

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