ChemSpider 2D Image | (1S,2R)-3-(Hydroxymethyl)-5-(4-imino-4,5-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)-1,2-cyclopentanediol | C12H16N4O3

(1S,2R)-3-(Hydroxymethyl)-5-(4-imino-4,5-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)-1,2-cyclopentanediol

  • Molecular FormulaC12H16N4O3
  • Average mass264.280 Da
  • Monoisotopic mass264.122253 Da
  • ChemSpider ID35033249

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,2R)-3-(Hydroxymethyl)-5-(4-imino-4,5-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1S,2R)-3-(Hydroxymethyl)-5-(4-imino-4,5-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)-1,2-cyclopentanediol [ACD/IUPAC Name]
(1S,2R)-3-(Hydroxyméthyl)-5-(4-imino-4,5-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-(4,5-dihydro-4-imino-1H-imidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)-, (1R,2S)- [ACD/Index Name]
3-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-5-(hydroxymethyl)cyclopentane-1,2-diol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 562.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.1±32.9 °C
Index of Refraction: 1.817
Molar Refractivity: 64.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 83.7±7.0 dyne/cm
Molar Volume: 149.1±7.0 cm3

Click to predict properties on the Chemicalize site


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