ChemSpider 2D Image | 1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol | C18H22N3O9P

1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol

  • Molecular FormulaC18H22N3O9P
  • Average mass455.356 Da
  • Monoisotopic mass455.109375 Da
  • ChemSpider ID62986051

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]chinolin-10(2H)-yl)-5-O-phosphono-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-(7,8-diméthyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinoléin-10(2H)-yl)-5-O-phosphono-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-, 5-(dihydrogen phosphate) [ACD/Index Name]
[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
1-Deoxy-1-[3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinoline-10(2H)-yl]-5-O-phosphono-D-ribitol
36408-16-9 [RN]
5-Deaza-fmn

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 102.6±0.5 cm3
#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: 199 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 80.8±7.0 dyne/cm
Molar Volume: 260.2±7.0 cm3

Click to predict properties on the Chemicalize site


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