ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate | C20H25N10O10P

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate

  • Molecular FormulaC20H25N10O10P
  • Average mass596.447 Da
  • Monoisotopic mass596.149292 Da
  • ChemSpider ID416533
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

Phosphoric acid 5-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester

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

AIDS082135 [DBID]
AIDS-082135 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 1084.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.7±3.0 kJ/mol
Flash Point: 609.8±37.1 °C
Index of Refraction: 1.987
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -5.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 140.4±7.0 dyne/cm
Molar Volume: 256.2±7.0 cm3

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