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Search term: VXLZCIMPZIERNZ-LADHFWMSSA-J (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Deoxy-5-O-({[(2S)-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol | C24H25N4O15P

1-Deoxy-5-O-({[(2S)-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol

  • Molecular FormulaC24H25N4O15P
  • Average mass640.449 Da
  • Monoisotopic mass640.107605 Da
  • ChemSpider ID26331755

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Deoxy-5-O-({[(2S)-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol [ACD/IUPAC Name]
1-Desoxy-5-O-({[(2S)-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-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-5-O-({[(2S)-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-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-5-O-[[(1S)-2-[[(1S)-1,3-dicarboxypropyl]amino]-1-methyl-2-oxoethoxy]hydroxyphosphinyl]-1-(3,4-dihydro-8-hydroxy-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-, ion(4-) [ACD/Index Name]
1-deoxy-5-O-({[(2S)-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxopropan-2-yl]oxy}phosphinato)-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol
coenzyme F420-(γ-Glu)n
coenzyme F420-1
coenzyme F420-1 tetraanion
coenzyme F420-1(4-)
oxidised coenzyme F420-(γ-Glu)n polyanion
More...
  • Miscellaneous

    • Chemical Class:

      A polyanionic polymer derived from oxidised coenzyme F420-(gamma-Glu)n. Major microspecies at pH 7.3 ChEBI CHEBI:133980
      The tetraanion of coenzyme F420-1 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:59920

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: 19
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -2.99
ACD/LogD (pH 5.5): -8.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 308 Å2
Polarizability:
Surface Tension:
Molar Volume:

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