ChemSpider 2D Image | 1-Deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol | C16H16N3O7

1-Deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol

  • Molecular FormulaC16H16N3O7
  • Average mass362.315 Da
  • Monoisotopic mass362.099365 Da
  • ChemSpider ID26331748

  • 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-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]chinolin-3-id-10(4H)-yl)-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinoléin-3-id-10(4H)-yl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-(3,4-dihydro-8-hydroxy-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-, ion(1-) [ACD/Index Name]
7,8-didemethyl-8-hydroxy-5-deazariboflavin
7,8-didemethyl-8-hydroxy-5-deazariboflavin anion
7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-)
7,8-didemethyl-8-hydroxy-5-deazariboflavin-3-ide
  • Miscellaneous

    • Chemical Class:

      Conjugate base of 7,8-didemethyl-8-hydroxy-5-deazariboflavin arising from deprotonation at the 3-position of the pyrimidoquinoline ring system; major species at pH 7.3. ChEBI CHEBI:59904

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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