ChemSpider 2D Image | (1S,2R,5S)-5-(8-Aminoimidazo[1,2-a]pyrazin-3-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol | C12H14N4O3

(1S,2R,5S)-5-(8-Aminoimidazo[1,2-a]pyrazin-3-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol

  • Molecular FormulaC12H14N4O3
  • Average mass262.265 Da
  • Monoisotopic mass262.106598 Da
  • ChemSpider ID28537408

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,5S)-5-(8-Aminoimidazo[1,2-a]pyrazin-3-yl)-3-(hydroxymethyl)-3-cyclopenten-1,2-diol [German] [ACD/IUPAC Name]
(1S,2R,5S)-5-(8-Aminoimidazo[1,2-a]pyrazin-3-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol [ACD/IUPAC Name]
(1S,2R,5S)-5-(8-Aminoimidazo[1,2-a]pyrazin-3-yl)-3-(hydroxyméthyl)-3-cyclopentène-1,2-diol [French] [ACD/IUPAC Name]
(1S,2R,5S)-5-(8-Aminoimidazo[1,2-a]pyrazin-3-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
1186073-08-4 [RN]
3-Cyclopentene-1,2-diol, 5-(8-aminoimidazo[1,2-a]pyrazin-3-yl)-3-(hydroxymethyl)-, (1S,2R,5S)- [ACD/Index Name]
[1186073-08-4] [RN]
MFCD22419384

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: -0.23
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.49
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.96
Polar Surface Area: 117 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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