ChemSpider 2D Image | (2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydro-3,4-furandiol | C17H19N5O3S2

(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydro-3,4-furandiol

  • Molecular FormulaC17H19N5O3S2
  • Average mass405.495 Da
  • Monoisotopic mass405.092926 Da
  • ChemSpider ID25057768
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydro-3,4-furandiol [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydro-3,4-furandiol [German] [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)méthyl]tétrahydro-3,4-furanediol [French] [ACD/IUPAC Name]
(2r,3r,4s,5s)-2-(6-Amino-9h-Purin-9-Yl)-5-[(Benzyldisulfanyl)methyl]tetrahydrofuran-3,4-Diol
5'-Deoxy-5'-thiodenosine scaffold, 14a
A5D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 722.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.802
Molar Refractivity: 104.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.22
ACD/KOC (pH 5.5): 685.46
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.56
ACD/KOC (pH 7.4): 709.96
Polar Surface Area: 170 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 76.6±7.0 dyne/cm
Molar Volume: 243.9±7.0 cm3

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