ChemSpider 2D Image | 9-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one | C10H12N4O5

9-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one

  • Molecular FormulaC10H12N4O5
  • Average mass268.226 Da
  • Monoisotopic mass268.080780 Da
  • ChemSpider ID28943036
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

9-(β-L-glycero-Pentofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-(β-L-glycéro-Pentofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
21138-24-9 [RN]
6H-Purin-6-one, 1,9-dihydro-9-β-L-glycero-pentofuranosyl- [ACD/Index Name]
9-(β-L-glycero-Pentofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one
9-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one (non-preferred name)
L-Inosine
MFCD00066770 [MDL number]
MFCD00673221 [MDL number]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 797.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.3±32.9 °C
Index of Refraction: 1.879
Molar Refractivity: 58.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 129 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 104.4±7.0 dyne/cm
Molar Volume: 128.7±7.0 cm3

Click to predict properties on the Chemicalize site






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