ChemSpider 2D Image | {6-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-[(chloroacetyl)amino]-3,5-dihydroxy-2-morpholinyl}methyl trihydrogen diphosphate | C12H18ClN7O12P2

{6-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-[(chloroacetyl)amino]-3,5-dihydroxy-2-morpholinyl}methyl trihydrogen diphosphate

  • Molecular FormulaC12H18ClN7O12P2
  • Average mass549.711 Da
  • Monoisotopic mass549.017700 Da
  • ChemSpider ID112810

More details:

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

{6-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-[(chloracetyl)amino]-3,5-dihydroxy-2-morpholinyl}methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
{6-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-[(chloroacetyl)amino]-3,5-dihydroxy-2-morpholinyl}methyl trihydrogen diphosphate [ACD/IUPAC Name]
Diphosphoric acid, mono[[6-(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxy-2-morpholinyl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de {6-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-[(2-chloroacétyl)amino]-3,5-dihydroxy-2-morpholinyl}méthyle [French] [ACD/IUPAC Name]
(N-((chloroacetyl)amino)-3,5-dihydroxy-2-morpholinyl)methyl guanosine diphosphate
98063-02-6 [RN]
Gdp-cah
Guanosine diphosphate N-chloroacetylhydrazone

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.887
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.62
ACD/LogD (pH 5.5): -8.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 159.1±7.0 dyne/cm
Molar Volume: 222.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement