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Search term: BJBVBUWJZZTUOU-SCTDSRPQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Deoxy-1-[7,8-dimethyl-5-(3-methyl-2-buten-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | C22H31N4O9P

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

  • Molecular FormulaC22H31N4O9P
  • Average mass526.477 Da
  • Monoisotopic mass526.182861 Da
  • ChemSpider ID35035450

  • 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-5-(3-methyl-2-buten-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol [ACD/IUPAC Name]
1-Deoxy-1-[7,8-Dimethyl-5-(3-Methylbut-2-En-1-Yl)-2,4-Dioxo-1,3,4,5-Tetrahydrobenzo[g]pteridin-10(2h)-Yl]-5-O-Phosphono-D-Ribitol
1-Desoxy-1-[7,8-dimethyl-5-(3-methyl-2-buten-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[7,8-diméthyl-5-(3-méthyl-2-butén-1-yl)-2,4-dioxo-1,3,4,5-tétrahydrobenzo[g]ptéridin-10(2H)-yl]-5-O-phosphono-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-[1,3,4,5-tetrahydro-7,8-dimethyl-5-(3-methyl-2-buten-1-yl)-2,4-dioxobenzo[g]pteridin-10(2H)-yl]-, 5-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 340.1±5.0 cm3

Click to predict properties on the Chemicalize site


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