ChemSpider 2D Image | 3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate | C17H27N3O17P2

3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate

  • Molecular FormulaC17H27N3O17P2
  • Average mass607.354 Da
  • Monoisotopic mass607.081543 Da
  • ChemSpider ID21232093

More details:






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

3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate [ACD/IUPAC Name]
3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl-[5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de 3-acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle et de [5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle (non-preferr ed name) [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 973.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.7±6.0 kJ/mol
Flash Point: 542.2±37.1 °C
Index of Refraction: 1.749
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.44
ACD/LogD (pH 5.5): -9.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 116.7±7.0 dyne/cm
Molar Volume: 280.2±7.0 cm3

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