ChemSpider 2D Image | 1-Deoxy-1-[(4aR)-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | C17H23N4O9P

1-Deoxy-1-[(4aR)-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol

  • Molecular FormulaC17H23N4O9P
  • Average mass458.360 Da
  • Monoisotopic mass458.120270 Da
  • ChemSpider ID61713528

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Deoxy-1-[(4aR)-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-[(4aR)-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[(4aR)-7,8-diméthyl-2,4-dioxo-3,4,4a,5-tétrahydrobenzo[g]ptéridin-10(2H)-yl]-5-O-phosphono-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-[(4aR)-3,4,4a,5-tetrahydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl]-, 5-(dihydrogen phosphate) [ACD/Index Name]
Flavin mononucleotide [Wiki]
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: 1.747
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.50
ACD/LogD (pH 5.5): -6.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 87.7±7.0 dyne/cm
Molar Volume: 248.9±7.0 cm3

Click to predict properties on the Chemicalize site


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