ChemSpider 2D Image | [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-Dihydroxyethyl]-3,4,5-Trihydroxytetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate | C17H27N5O16P2

[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-Dihydroxyethyl]-3,4,5-Trihydroxytetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate

  • Molecular FormulaC17H27N5O16P2
  • Average mass619.368 Da
  • Monoisotopic mass619.092773 Da
  • ChemSpider ID35035706

  • defined stereocentres - 10 of 10 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,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-pref erred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3R,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-preferr ed name) [German] [ACD/IUPAC Name]
[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-Dihydroxyethyl]-3,4,5-Trihydroxytetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4R,5R,6S)-6-[(1R)-1,2-dihydroxyéthyl]-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl e (non-preferred name) [French] [ACD/IUPAC Name]
AQH

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1051.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.2±3.0 kJ/mol
Flash Point: 589.7±37.1 °C
Index of Refraction: 1.861
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.83
ACD/LogD (pH 5.5): -9.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 352 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 147.8±7.0 dyne/cm
Molar Volume: 256.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement