ChemSpider 2D Image | 1-Deoxy-1-(9,11-dihydroxy-3,3,4,5-tetramethyl-2,3-dihydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl)-5-O-phosphono-D-ribitol | C22H31N4O9P

1-Deoxy-1-(9,11-dihydroxy-3,3,4,5-tetramethyl-2,3-dihydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl)-5-O-phosphono-D-ribitol

  • Molecular FormulaC22H31N4O9P
  • Average mass526.477 Da
  • Monoisotopic mass526.182861 Da
  • ChemSpider ID61709288

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-(9,11-dihydroxy-3,3,4,5-tetramethyl-2,3-dihydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl)-5-O-phosphono-D-ribitol [ACD/IUPAC Name]
1-Deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl)-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-(9,11-dihydroxy-3,3,4,5-tetramethyl-2,3-dihydro-1H,7H-chinolino[1,8-fg]pteridin-7-yl)-5-O-phosphono-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-(9,11-dihydroxy-3,3,4,5-tétraméthyl-2,3-dihydro-1H,7H-quinoléino[1,8-fg]ptéridin-7-yl)-5-O-phosphono-D-ribitol [French] [ACD/IUPAC Name]
1-Desoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-1H,7H-chinolino[1,8-fg]pteridin-7-yl)-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-5-O-phosphono-1-(3,3,4,5-tétraméthyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-1H,7H-quinoléino[1,8-fg]ptéridin-7-yl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-(2,3,8,9,10,11-hexahydro-3,3,4,5-tetramethyl-9,11-dioxo-1H,7H-quino[1,8-fg]pteridin-7-yl)-, 5-(dihydrogen phosphate) [ACD/Index Name]
D-Ribitol, 1-deoxy-1-(2,3-dihydro-9,11-dihydroxy-3,3,4,5-tetramethyl-1H,7H-quino[1,8-fg]pteridin-7-yl)-, 5-(dihydrogen phosphate) [ACD/Index Name]
1-Deoxy-5-O-Phosphono-1-(3,3,4,5-Tetramethyl-9,11-Dioxo-2,3,8,9,10,11-Hexahydro-7h-Quinolino[1,8-Fg]pteridin-12-Ium-7-Yl)-D-Ribitol
4LU

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

Density: 1.7±0.1 g/cm3
Boiling Point: 929.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.6±3.0 kJ/mol
Flash Point: 515.8±37.1 °C
Index of Refraction: 1.718
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.16
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 110.2±5.0 dyne/cm
Molar Volume: 318.3±5.0 cm3

Click to predict properties on the Chemicalize site


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