ChemSpider 2D Image | 4-Amino-7-(4-thio-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | C12H13N5O3S

4-Amino-7-(4-thio-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • Molecular FormulaC12H13N5O3S
  • Average mass307.328 Da
  • Monoisotopic mass307.073914 Da
  • ChemSpider ID57524936

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Amino-7-(4-thio-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-5-carbonitril [German] [ACD/IUPAC Name]
4-Amino-7-(4-thio-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ACD/IUPAC Name]
4-Amino-7-(4-thio-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-(4-thio-β-D-ribofuranosyl)- [ACD/Index Name]
34635-46-6 [RN]
Thiotoyocamycin

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

Density: 1.9±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.897
Molar Refractivity: 74.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.65
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.89
Polar Surface Area: 167 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 100.4±7.0 dyne/cm
Molar Volume: 160.4±7.0 cm3

Click to predict properties on the Chemicalize site


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