ChemSpider 2D Image | [(2R,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl {oxybis[(hydroxyphosph oryl)oxy]}bis[hydrogen (phosphonate)] (non-preferred name) | C20H29N7O20P4

[(2R,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl {oxybis[(hydroxyphosph oryl)oxy]}bis[hydrogen (phosphonate)] (non-preferred name)

  • Molecular FormulaC20H29N7O20P4
  • Average mass811.374 Da
  • Monoisotopic mass811.041809 Da
  • ChemSpider ID24653022

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

[(2R,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl {oxybis[(hydroxyphosph oryl)oxy]}bis[hydrogen (phosphonate)] (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl-{oxybis[(hydroxyphosph oryl)oxy]}bis[hydrogen(phosphonat)] (non-preferred name) [German] [ACD/IUPAC Name]
{Oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogéno(phosphonate)] de [(2R,3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydr o-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]

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: 1.856
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 27
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -6.06
ACD/LogD (pH 5.5): -13.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 433 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 155.8±7.0 dyne/cm
Molar Volume: 338.7±7.0 cm3

Click to predict properties on the Chemicalize site


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