ChemSpider 2D Image | O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran | C19H26N7O16P3S3

O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran

  • Molecular FormulaC19H26N7O16P3S3
  • Average mass797.563 Da
  • Monoisotopic mass796.981079 Da
  • ChemSpider ID35033314

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Dihydrogéno(R)-phosphorothioate de O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-[(thiophosphonooxy)méth yl]tétrahydro-3-furanyl}oxy)(sulfanyl)phosphoryl]oxy}méthyl)-4-hydroxytétrahydro-3-furanyle] (non-preferred name) [French] [ACD/IUPAC Name]
O-[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(sulfan yl)phosphoryl]oxy}methyl)-4-hydroxytetrahydro-3-furanyl] dihydrogen (R)-phosphorothioate (non-preferred name) [ACD/IUPAC Name]
O-[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(sulfan yl)phosphoryl]oxy}methyl)-4-hydroxytetrahydro-3-furanyl]dihydrogen(R)-phosphorothioat (non-preferred name) [German] [ACD/IUPAC Name]
O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran
06S
O-[(2r,3s,4r,5r)-5-(2-Amino-6-Oxo-3,6-Dihydro-9h-Purin-9-Yl)-2-({[(S)-({(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-4-Hydroxy-2-[(Thiophosphonooxy)methyl]tetrahydrofuran-3-Yl}oxy)(Sulfanyl)phosphoryl]oxy}methyl)-4-Hydroxytetrahydrofuran-3-Yl] Dihydrogen (S)-Phosphorothioate

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.941
Molar Refractivity: 158.8±0.5 cm3
#H bond acceptors: 23
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.03
ACD/LogD (pH 5.5): -9.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 468 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 142.4±7.0 dyne/cm
Molar Volume: 331.0±7.0 cm3

Click to predict properties on the Chemicalize site


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