ChemSpider 2D Image | [(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,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate | C15H23N5O15P2

[(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,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate

  • Molecular FormulaC15H23N5O15P2
  • Average mass575.315 Da
  • Monoisotopic mass575.066589 Da
  • ChemSpider ID2300127

  • 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,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate [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,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yldihydrogendiphosphat [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,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yle (non-prefer red name) [French] [ACD/IUPAC Name]
130272-39-8 [RN]
Gdp-ara
Gdp-arabinopyranose
Gdp-D-arabinopyranoside
Guanidine diphosphate-arabinopyranose
Guanosine 5'-(trihydrogen diphosphate), P-α-D-arabinopyranosyl ester

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1024.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.8±3.0 kJ/mol
Flash Point: 573.5±37.1 °C
Index of Refraction: 1.899
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -8.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 162.6±7.0 dyne/cm
Molar Volume: 227.4±7.0 cm3

Click to predict properties on the Chemicalize site


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