ChemSpider 2D Image | 1-(7-Bromo-8-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-5-O-phosphonopentitol | C16H18BrN4O9P

1-(7-Bromo-8-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-5-O-phosphonopentitol

  • Molecular FormulaC16H18BrN4O9P
  • Average mass521.213 Da
  • Monoisotopic mass519.999451 Da
  • ChemSpider ID166347

More details:

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

1-(7-Brom-8-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-desoxy-5-O-phosphonopentitol [German] [ACD/IUPAC Name]
1-(7-Bromo-8-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-5-O-phosphonopentitol [ACD/IUPAC Name]
1-(7-Bromo-8-méthyl-2,4-dioxo-3,4-dihydrobenzo[g]ptéridin-10(2H)-yl)-1-désoxy-5-O-phosphonopentitol [French] [ACD/IUPAC Name]
Pentitol, 1-(7-bromo-3,4-dihydro-8-methyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-1-deoxy-, 5-(dihydrogen phosphate) [ACD/Index Name]
60697-31-6 [RN]
7-Bromo fmn
7-Bromo-fmn
Riboflavin 5'-(dihydrogen phosphate), 7-bromo-7-demethyl-

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.789
Molar Refractivity: 104.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 97.6±7.0 dyne/cm
Molar Volume: 246.2±7.0 cm3

Click to predict properties on the Chemicalize site


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