ChemSpider 2D Image | 2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-beta-D-ribofuranosyl)-7H-purin-6-amine | C14H17BrN5O9PS

2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-β-D-ribofuranosyl)-7H-purin-6-amine

  • Molecular FormulaC14H17BrN5O9PS
  • Average mass542.256 Da
  • Monoisotopic mass540.966797 Da
  • ChemSpider ID112920

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(4-Brom-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-β-D-ribofuranosyl)-7H-purin-6-amin [German] [ACD/IUPAC Name]
2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-β-D-ribofuranosyl)-7H-purin-6-amine [ACD/IUPAC Name]
2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-β-D-ribofuranosyl)-7H-purin-6-amine [French] [ACD/IUPAC Name]
7H-Purin-6-amine, 2-[(4-bromo-2,3-dioxobutyl)thio]-7-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
2-Bdb-tamp
5'-Adenylic acid, 2-((4-bromo-2,3-dioxobutyl)thio)-
99098-32-5 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 887.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 490.6±37.1 °C
Index of Refraction: 1.853
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 117.1±7.0 dyne/cm
Molar Volume: 235.4±7.0 cm3

Click to predict properties on the Chemicalize site


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