ChemSpider 2D Image | (3S,8S,11S,16R,17S,18S)-13,16,17,18-Tetrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecane-1,3,8-tricarboxyl ic acid 13-oxide | C29H36N5O18P

(3S,8S,11S,16R,17S,18S)-13,16,17,18-Tetrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecane-1,3,8-tricarboxyl ic acid 13-oxide

  • Molecular FormulaC29H36N5O18P
  • Average mass773.593 Da
  • Monoisotopic mass773.179321 Da
  • ChemSpider ID16743965

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,8S,11S,16R,17S,18S)-13,16,17,18-Tetrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]chinolin-10(2H)-yl)-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecan-1,3,8-tricarbonsäu re-13-oxid [German] [ACD/IUPAC Name]
(3S,8S,11S,16R,17S,18S)-13,16,17,18-Tetrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecane-1,3,8-tricarboxyl ic acid 13-oxide [ACD/IUPAC Name]
Acide (3S,8S,11S,16R,17S,18S) 13-oxyde de 13,16,17,18-tétrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinoléin-10(2H)-yl)-11-méthyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadécan e-1,3,8-tricarboxylique [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)- [ACD/Index Name]
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
64885-97-8 [RN]
878051 [Beilstein]
coenzyme ??-F420-2
Coenzyme F420
coenzyme γ-F420-2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DXA [DBID]
  • Miscellaneous

    • Chemical Class:

      The amide obtained by formal condensation of the carboxylic acid group of F<smallsub>420</smallsub>-0 with the amino group of <stereo>L</stereo>-<locant>gamma</locant>-glutamyl-<stereo>L</stereo>-glut amic acid. ChEBI CHEBI:16848
      The amide obtained by formal condensation of the carboxylic acid group of F420-0 with the amino group of L-gamma-glutamyl-L-glutamic acid. ChEBI CHEBI:16848

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 167.8±0.5 cm3
#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: 378 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 87.2±7.0 dyne/cm
Molar Volume: 430.8±7.0 cm3

Click to predict properties on the Chemicalize site


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