ChemSpider 2D Image | 4-Amino-1-{5-O-[({[(2-amino-4-oxo-6,7-dithioxo-1,5,6,7,8,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone | C19H22N8O13P2S2

4-Amino-1-{5-O-[({[(2-amino-4-oxo-6,7-dithioxo-1,5,6,7,8,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC19H22N8O13P2S2
  • Average mass696.501 Da
  • Monoisotopic mass696.022278 Da
  • ChemSpider ID4815861

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[[[[(2-amino-1,5,6,7,8,10-hexahydro-4-oxo-6,7-dithioxo-4H-pyrano[3,2-g]pteridin-8-yl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[({[(2-amino-4-oxo-6,7-dithioxo-1,5,6,7,8,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[(2-amino-4-oxo-6,7-dithioxo-1,5,6,7,8,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[(2-amino-4-oxo-6,7-dithioxo-1,5,6,7,8,10-hexahydro-4H-pyrano[3,2-g]ptéridin-8-yl)méthoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 926.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.9±6.0 kJ/mol
Flash Point: 514.1±37.1 °C
Index of Refraction: 1.966
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -8.85
ACD/LogD (pH 5.5): -12.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 395 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 140.5±7.0 dyne/cm
Molar Volume: 291.8±7.0 cm3

Click to predict properties on the Chemicalize site


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