ChemSpider 2D Image | (1xi)-1-(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-D-ribitol | C11H14N4O5

(1ξ)-1-(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-D-ribitol

  • Molecular FormulaC11H14N4O5
  • Average mass282.253 Da
  • Monoisotopic mass282.096405 Da
  • ChemSpider ID24674479

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1ξ)-1-(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-D-ribitol [ACD/IUPAC Name]
(1ξ)-1-(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-D-ribitol [German] [ACD/IUPAC Name]
(1ξ)-1-(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-, (1ξ)- [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: 801.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.6±37.1 °C
Index of Refraction: 1.829
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -4.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 128.2±3.0 dyne/cm
Molar Volume: 156.1±3.0 cm3

Click to predict properties on the Chemicalize site


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