ChemSpider 2D Image | [(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl d ihydrogen phosphate | C19H26N8O13P2

[(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl d ihydrogen phosphate

  • Molecular FormulaC19H26N8O13P2
  • Average mass636.403 Da
  • Monoisotopic mass636.109436 Da
  • ChemSpider ID157877

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl d ihydrogen phosphate [ACD/IUPAC Name]
[(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyldi hydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de [(2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}tétra hydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
36786-90-0 [RN]

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

NSC 620336 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1053.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.6±3.0 kJ/mol
Flash Point: 591.1±37.1 °C
Index of Refraction: 1.883
Molar Refractivity: 128.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.49
ACD/LogD (pH 5.5): -9.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 137.7±7.0 dyne/cm
Molar Volume: 280.6±7.0 cm3

Click to predict properties on the Chemicalize site


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