ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl methylenebis[hydrogen (S,R)-phosphonate] (non-preferred nam e) | C16H25N5O13P2

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl methylenebis[hydrogen (S,R)-phosphonate] (non-preferred nam e)

  • Molecular FormulaC16H25N5O13P2
  • Average mass557.343 Da
  • Monoisotopic mass557.092000 Da
  • ChemSpider ID25061232

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl methylenebis[hydrogen (S,R)-phosphonate] (non-preferred nam e) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl-methylenbis[hydrogen(S,R)-phosphonat] (non-preferred name) [German] [ACD/IUPAC Name]
Méthylènebis[hydrogéno(S,R)-phosphonate] de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3R,4R,5R)-3,4,5-trihydroxytétrahydro-2-furanyl]méthyle (non-pr eferred name) [French] [ACD/IUPAC Name]

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

Density: 2.3±0.0 g/cm3
Boiling Point: 973.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 148.5±0.0 kJ/mol
Flash Point: 542.2±0.0 °C
Index of Refraction: 1.861
Molar Refractivity: 108.1±0.0 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 302 Å2
Polarizability: 42.8±0.0 10-24cm3
Surface Tension: 140.7±0.0 dyne/cm
Molar Volume: 239.7±0.0 cm3

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