ChemSpider 2D Image | 6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-pteridinediol | C9H12N4O4

6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-pteridinediol

  • Molecular FormulaC9H12N4O4
  • Average mass240.216 Da
  • Monoisotopic mass240.085861 Da
  • ChemSpider ID58837170

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2,4-Pteridinediol, 6-[(1R,2S)-1,2-dihydroxypropyl]-3,4-dihydro- [ACD/Index Name]
6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-pteridindiol [German] [ACD/IUPAC Name]
6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-pteridinediol [ACD/IUPAC Name]
6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-ptéridinediol [French] [ACD/IUPAC Name]
6-(L-erythro-1,2-dihydroxypropyl)-lumazine
Biolumazine

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

Density: 1.9±0.1 g/cm3
Boiling Point: 597.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.4±32.9 °C
Index of Refraction: 1.796
Molar Refractivity: 54.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -5.11
ACD/LogD (pH 5.5): -5.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 84.1±7.0 dyne/cm
Molar Volume: 127.6±7.0 cm3

Click to predict properties on the Chemicalize site


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