ChemSpider 2D Image | Triphosphoric 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 | C12H19ClN7O15P3

Triphosphoric 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

  • Molecular FormulaC12H19ClN7O15P3
  • Average mass629.691 Da
  • Monoisotopic mass628.984070 Da
  • ChemSpider ID112819

More details:






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

Triphosphoric 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]
(N-(Chloroacetylamino)-3,5-dihydroxy-2-morpholinyl)methyl guanosine triphosphate
98104-37-1 [RN]
GTP-Cah
Guanosine triphosphate N-chloroacetylhydrazone
Triphosphoric acid, P-((6-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-4-((chloroacetyl)amino)-3,5-dihydroxy-2-morpholinyl)methyl) ester, (2R-(2α,3β,5β,6α))-

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.889
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.89
ACD/LogD (pH 5.5): -11.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 180.1±7.0 dyne/cm
Molar Volume: 243.6±7.0 cm3

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