ChemSpider 2D Image | [(2R,3aR,4R,6R,6aR)-6-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl trihydrogen diphosphate | C10H14N5O13P3

[(2R,3aR,4R,6R,6aR)-6-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl trihydrogen diphosphate

  • Molecular FormulaC10H14N5O13P3
  • Average mass505.165 Da
  • Monoisotopic mass504.980103 Da
  • ChemSpider ID392639
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(2R,3aR,4R,6R,6aR)-6-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl trihydrogen diphosphate [ACD/IUPAC Name]
[(2R,3aR,4R,6R,6aR)-6-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[[(2R,3aR,4R,6R,6aR)-6-(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)tetrahydro-2-hydroxy-2-oxidofuro[3,4-d]-1,3,2-dioxaphosphol-4-yl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de [(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxydotétrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]méthyle [French] [ACD/IUPAC Name]
GPX
guanosine 5'-diphosphate 2':3'-cyclic monophosphate

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

AIDS226290 [DBID]
AIDS-226290 [DBID]
T-705 & Guanosine [DBID]

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

Density: 2.9±0.1 g/cm3
Boiling Point: 962.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.9±3.0 kJ/mol
Flash Point: 536.1±37.1 °C
Index of Refraction: 2.022
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 293 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 238.0±7.0 dyne/cm
Molar Volume: 173.1±7.0 cm3

Click to predict properties on the Chemicalize site






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