ChemSpider 2D Image | 5-O-{[(1S)-1-Carboxylatoethoxy]phosphinato}-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol | C19H19N3O12P

5-O-{[(1S)-1-Carboxylatoethoxy]phosphinato}-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol

  • Molecular FormulaC19H19N3O12P
  • Average mass512.343 Da
  • Monoisotopic mass512.072266 Da
  • ChemSpider ID26331750

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5-O-{[(1S)-1-Carboxylatoethoxy]phosphinato}-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol [ACD/IUPAC Name]
5-O-{[(1S)-1-Carboxylatoethoxy]phosphinato}-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]
5-O-{[(1S)-1-Carboxylatoéthoxy]phosphinato}-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, 5-O-[[(1S)-1-carboxyethoxy]hydroxyphosphinyl]-1-deoxy-1-(3,4-dihydro-8-hydroxy-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-, ion(3-) [ACD/Index Name]
10-[(2S,3S,4R)-5-{[(1S)-1-carboxylatoethyl phosphonato]oxy}-2,3,4-trihydroxypentyl]-8-hydroxy- 2,4-dioxo-2H,3H,4H,10H-pyrimido[4,5-b]quinolin-3-ide
10-[(2S,3S,4R)-5-{[(1S)-1-carboxylatoethyl phosphonato]oxy}-2,3,4-trihydroxypentyl]-8-hydroxy- 2,4-dioxo-2H,3H,4H,10H-pyrimido[4,5-b]quinolin-3-ide
F420-0
F420-0(3-)
oxidized coenzyme F420-0
oxidized F420-0
  • Miscellaneous

    • Chemical Class:

      Trianion of F420-0 arising from deprotonation of the carboxylic acid and phosphate functions as well as the 3-position on the pyrimidinoquinoline ring system; major species at pH 7.3. ChEBI CHEBI:59907

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: 15
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -6.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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