ChemSpider 2D Image | [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate | C27H35N9O15P2

[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate

  • Molecular FormulaC27H35N9O15P2
  • Average mass787.566 Da
  • Monoisotopic mass787.172791 Da
  • ChemSpider ID8116177

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.850
Molar Refractivity: 168.1±0.5 cm3
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.58
ACD/LogD (pH 5.5): -8.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 375 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 114.4±7.0 dyne/cm
Molar Volume: 376.2±7.0 cm3

Click to predict properties on the Chemicalize site


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