ChemSpider 2D Image | 1-Deoxy-1-(6-methyl-2,4,7-trioxo-3,4-dihydro-2H-pteridin-1-id-8(7H)-yl)-D-ribitol | C12H15N4O7

1-Deoxy-1-(6-methyl-2,4,7-trioxo-3,4-dihydro-2H-pteridin-1-id-8(7H)-yl)-D-ribitol

  • Molecular FormulaC12H15N4O7
  • Average mass327.271 Da
  • Monoisotopic mass327.094635 Da
  • ChemSpider ID26331969

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-(6-methyl-2,4,7-trioxo-3,4-dihydro-2H-pteridin-1-id-8(7H)-yl)-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-(6-methyl-2,4,7-trioxo-3,4-dihydro-2H-pteridin-1-id-8(7H)-yl)-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-(6-méthyl-2,4,7-trioxo-3,4-dihydro-2H-ptéridin-1-id-8(7H)-yl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-(1,3,4,7-tetrahydro-6-methyl-2,4,7-trioxo-8(2H)-pteridinyl)-, ion(1-) [ACD/Index Name]
6-methyl-7-oxo-8-(1-D-ribityl)lumazine
6-methyl-7-oxo-8-(1-D-ribityl)lumazine (2-hydroxy tautomer)(1-)
6-methyl-7-oxo-8-(1-D-ribityl)lumazine (2-oxo tautomer)(1-)
6-methyl-7-oxo-8-(1-D-ribityl)lumazine(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion anion formed from 6-methyl-7-oxo-8-(1-D-ribityl)lumazine (2-hydroxy tautomer) by removal of a proton from the nitrogen at position 1. ChEBI CHEBI:73055
      The anion formed from 6-methyl-7-oxo-8-(1-D-ribityl)lumazine by removal of a proton from the nitrogen at position 3 (i.e. between the oxo groups). It is the major species at physiological pH. ChEBI CHEBI:60501

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

Density:
Boiling Point: 738.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 400.6±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -5.27
ACD/LogD (pH 5.5): -4.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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