ChemSpider 2D Image | (4xi)-5'-O-[({[(2-Amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine | C20H26N10O13P2S2

(4ξ)-5'-O-[({[(2-Amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine

  • Molecular FormulaC20H26N10O13P2S2
  • Average mass740.557 Da
  • Monoisotopic mass740.059753 Da
  • ChemSpider ID5034787

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(4ξ)-5'-O-[({[(2-Amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosin [German] [ACD/IUPAC Name]
(4ξ)-5'-O-[({[(2-Amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine [ACD/IUPAC Name]
(4ξ)-5'-O-[({[(2-Amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]ptéridin-8-yl)méthoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine [French] [ACD/IUPAC Name]
Guanosine, 5'-O-[[[[(2-amino-1,5,5a,8,9a,10-hexahydro-6,7-dimercapto-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, (4ξ)- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1127.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.9±3.0 kJ/mol
Flash Point: 635.4±37.1 °C
Index of Refraction: 2.069
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -6.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 435 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 161.0±7.0 dyne/cm
Molar Volume: 288.5±7.0 cm3

Click to predict properties on the Chemicalize site


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