ChemSpider 2D Image | (2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(Methylene)]bis[5-(6-Amino-9h-Purin-9-Yl)tetrahydrofuran-3,4-Diol] | C20H24N10O6S2

(2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(Methylene)]bis[5-(6-Amino-9h-Purin-9-Yl)tetrahydrofuran-3,4-Diol]

  • Molecular FormulaC20H24N10O6S2
  • Average mass564.598 Da
  • Monoisotopic mass564.132141 Da
  • ChemSpider ID20572507

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-(Disulfandiyldimethylen)bis[5-(6-amino-9H-purin-9-yl)tetrahydro-3,4-furandiol] [German] [ACD/IUPAC Name]
(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-(Disulfanediyldiméthylène)bis[5-(6-amino-9H-purin-9-yl)tétrahydro-3,4-furanediol] [French] [ACD/IUPAC Name]
(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[Disulfanediylbis(methylene)]bis[5-(6-amino-9H-purin-9-yl)tetrahydro-3,4-furandiol] [ACD/IUPAC Name]
(2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(Methylene)]bis[5-(6-Amino-9h-Purin-9-Yl)tetrahydrofuran-3,4-Diol]
5256-83-7 [RN]
DTA

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1040.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.4±3.0 kJ/mol
Flash Point: 582.9±37.1 °C
Index of Refraction: 2.031
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 45.55
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 46.51
Polar Surface Area: 289 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 124.0±7.0 dyne/cm
Molar Volume: 257.4±7.0 cm3

Click to predict properties on the Chemicalize site


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