ChemSpider 2D Image | 5-Deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-1-O-phosphonato-D-xylitol | C18H20N3O9P


  • Molecular FormulaC18H20N3O9P
  • Average mass453.341 Da
  • Monoisotopic mass453.094818 Da
  • ChemSpider ID21210301
  • Charge - Charge

More details:

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

5-Deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-1-O-phosphonato-D-xylitol [ACD/IUPAC Name]
5-Desoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]chinolin-10(2H)-yl)-1-O-phosphonato-D-xylitol [German] [ACD/IUPAC Name]
5-Désoxy-5-(7,8-diméthyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinoléin-10(2H)-yl)-1-O-phosphonato-D-xylitol [French] [ACD/IUPAC Name]
D-Xylitol, 5-deoxy-5-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-, 1-(dihydrogen phosphate), ion(2-) [ACD/Index Name]

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -5.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Surface Tension:
Molar Volume:

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