ChemSpider 2D Image | Pyrrolo-C | C12H15N3O5

Pyrrolo-C

  • Molecular FormulaC12H15N3O5
  • Average mass281.265 Da
  • Monoisotopic mass281.101166 Da
  • ChemSpider ID32815546

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-Pyrrolo[2,3-d]pyrimidin-2-one, 3,7-dihydro-6-methyl-3-β-D-ribofuranosyl- [ACD/Index Name]
644962-84-5 [RN]
6-Methyl-3-(β-D-ribofuranosyl)-1,3-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-on [German] [ACD/IUPAC Name]
6-Methyl-3-(β-D-ribofuranosyl)-1,3-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one [ACD/IUPAC Name]
6-Méthyl-3-(β-D-ribofuranosyl)-1,3-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one [French] [ACD/IUPAC Name]
Pyrrolo-C
6-METHYL-3-(β-D-2-RIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDIN-2-ONE
6-METHYL-3-(β-D-2-RIBOFURANOSYL)PYRROLO-[2,3-D]-PYRIMIDIN-2-ONE
P0C

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

Density: 1.8±0.1 g/cm3
Boiling Point: 584.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 307.3±32.9 °C
Index of Refraction: 1.776
Molar Refractivity: 64.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.94
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.97
Polar Surface Area: 115 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 77.9±7.0 dyne/cm
Molar Volume: 155.3±7.0 cm3

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