ChemSpider 2D Image | 5-O-({[(2S)-1-{[(1S)-1-Carboxylato-4-{[(1S)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)- yl)-D-ribitol | C29H32N5O18P

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

  • Molecular FormulaC29H32N5O18P
  • Average mass769.563 Da
  • Monoisotopic mass769.150208 Da
  • ChemSpider ID26331661

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

5-O-({[(2S)-1-{[(1S)-1-Carboxylato-4-{[(1S)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)- yl)-D-ribitol [ACD/IUPAC Name]
5-O-({[(2S)-1-{[(1S)-1-Carboxylato-4-{[(1S)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-1-desoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]chinolin-10(2H) -yl)-D-ribitol [German] [ACD/IUPAC Name]
5-O-({[(2S)-1-{[(1S)-1-Carboxylato-4-{[(1S)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-1-désoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinoléin-10(2H )-yl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 5-O-[[(1S)-2-[[(1S)-1-carboxy-4-[[(1S)-1,3-dicarboxypropyl]amino]-4-oxobutyl]amino]-1-methyl-2-oxoethoxy]hydroxyphosphinyl]-1-deoxy-1-(3,4-dihydro-8-hydroxy-2,4-dioxopyrimido[4,5-b]quinolin -10(2H)-yl)-, ion(4-) [ACD/Index Name]
5-O-({[(2S)-1-{[(1S)-1-carboxylato-4-{[(1S)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-1-oxopropan-2-yl]oxy}phosphinato)-1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-
5-O-({[(2S)-1-{[(1S)-1-carboxylato-4-{[(1S)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-1-oxopropan-2-yl]oxy}phosphinato)-1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol
coenzyme γ-F420-2(4-)
γ-F420-2(4-)

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

7109687 [DBID]
  • Miscellaneous

    • Chemical Class:

      The tetra-anion obtained by removing protons from the phosphate and carboxylic acid groups of coenzyme gamma-F420-2. ChEBI CHEBI:59541

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: 23
#H bond donors: 11
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -3.88
ACD/LogD (pH 5.5): -10.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 390 Å2
Polarizability:
Surface Tension:
Molar Volume:

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