ChemSpider 2D Image | 6-{[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethyl]sulfanyl}-9-(beta-D-ribofuranosyl)-9H-purin-2-amine | C24H29N7O6S2

6-{[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethyl]sulfanyl}-9-(β-D-ribofuranosyl)-9H-purin-2-amine

  • Molecular FormulaC24H29N7O6S2
  • Average mass575.660 Da
  • Monoisotopic mass575.162048 Da
  • ChemSpider ID166719

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-{[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethyl]sulfanyl}-9-(β-D-ribofuranosyl)-9H-purin-2-amin [German] [ACD/IUPAC Name]
6-{[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethyl]sulfanyl}-9-(β-D-ribofuranosyl)-9H-purin-2-amine [ACD/IUPAC Name]
6-{[2-({[5-(Diméthylamino)-1-naphtyl]sulfonyl}amino)éthyl]sulfanyl}-9-(β-D-ribofuranosyl)-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-[[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethyl]thio]-9-β-D-ribofuranosyl- [ACD/Index Name]
1-Naphthalenesulfonamide, N-(2-((2-amino-9-β-D-ribofuranosyl-9H-purin-6-yl)thio)ethyl)-5-(dimethylamino)-
75501-09-6 [RN]
N-(2-((2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)thio)ethyl)-5-(dimethylamino)naphthalene-1-sulfonamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 922.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 511.5±37.1 °C
Index of Refraction: 1.774
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.23
ACD/KOC (pH 5.5): 113.25
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 114.86
Polar Surface Area: 223 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 75.0±7.0 dyne/cm
Molar Volume: 344.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement