ChemSpider 2D Image | 1,4-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-1-(4-imino-4,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pentitol | C11H17N4O13P3

1,4-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-1-(4-imino-4,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pentitol

  • Molecular FormulaC11H17N4O13P3
  • Average mass506.193 Da
  • Monoisotopic mass506.000488 Da
  • ChemSpider ID95639652

More details:

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

1,4-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-1-(4-imino-4,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pentitol [German] [ACD/IUPAC Name]
1,4-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-1-(4-imino-4,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pentitol [ACD/IUPAC Name]
1,4-Anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-1-(4-imino-4,7-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pentitol [French] [ACD/IUPAC Name]
Pentitol, 1,4-anhydro-1-C-(4,7-dihydro-4-imino-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]- [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: 848.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.2±6.0 kJ/mol
Flash Point: 467.1±37.1 °C
Index of Refraction: 1.879
Molar Refractivity: 90.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.67
ACD/LogD (pH 5.5): -10.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 181.5±7.0 dyne/cm
Molar Volume: 197.7±7.0 cm3

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