ChemSpider 2D Image | {(2R,3S,5R)-5-(2,6-Diamino-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-furanyl}methyl di hydrogen phosphate | C19H25IN8O13P2

{(2R,3S,5R)-5-(2,6-Diamino-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-furanyl}methyl di hydrogen phosphate

  • Molecular FormulaC19H25IN8O13P2
  • Average mass762.300 Da
  • Monoisotopic mass762.006104 Da
  • ChemSpider ID170151

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(2R,3S,5R)-5-(2,6-Diamino-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-iod-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-furanyl}methyldihy drogenphosphat [German] [ACD/IUPAC Name]
{(2R,3S,5R)-5-(2,6-Diamino-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-furanyl}methyl di hydrogen phosphate [ACD/IUPAC Name]
Dihydrogénophosphate de {(2R,3S,5R)-5-(2,6-diamino-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}phosphoryl)oxy]tétrah ydro-2-furanyl}méthyle [French] [ACD/IUPAC Name]
104576-78-5 [RN]
Pada-5-idu
Poly(2-aminodeoxyadenylate-5-iododeoxyuridylate)

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.926
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.28
ACD/LogD (pH 5.5): -8.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 326 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 139.1±7.0 dyne/cm
Molar Volume: 298.2±7.0 cm3

Click to predict properties on the Chemicalize site


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