ChemSpider 2D Image | GUANOSINE 5'-DIPHOSPHATE-4-KETO-BETA-L-GULOSE | C16H23N5O16P2

GUANOSINE 5'-DIPHOSPHATE-4-KETO-β-L-GULOSE

  • Molecular FormulaC16H23N5O16P2
  • Average mass603.325 Da
  • Monoisotopic mass603.061523 Da
  • ChemSpider ID4484377
  • 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-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate ( non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-oxotetrahydro-2H-pyran-2-yldihydrogendiphosphat (non -preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxyméthyl)-5-oxotétrahydro-2H-py ran-2-yle [French] [ACD/IUPAC Name]
GUANOSINE 5'-DIPHOSPHATE-4-KETO-β-L-GULOSE
GKD

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1084.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.6±3.0 kJ/mol
Flash Point: 609.5±37.1 °C
Index of Refraction: 1.891
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.18
ACD/LogD (pH 5.5): -8.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 160.3±7.0 dyne/cm
Molar Volume: 240.6±7.0 cm3

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