ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [oxido-[[(2S,3R,4R,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]phosphoryl] phosphate | C16H23N5O15P2

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [oxido-[[(2S,3R,4R,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]phosphoryl] phosphate

  • Molecular FormulaC16H23N5O15P2
  • Average mass587.327 Da
  • Monoisotopic mass587.067688 Da
  • ChemSpider ID439747

  • Charge - Charge

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

ManppA

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

AIDS165767 [DBID]
AIDS-165767 [DBID]

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

Density:
Boiling Point: 972.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.4±3.0 kJ/mol
Flash Point: 541.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.14
ACD/LogD (pH 5.5): -8.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 337 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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