ChemSpider 2D Image | 8-Hydroxy-2,4-dioxo-10-[(3S,8S,11S,13R,16R,17S,18S)-1,3,8-tricarboxy-13,16,17,18-tetrahydroxy-11-methyl-13-oxido-5,10-dioxo-12,14-dioxa-4,9-diaza-13lambda~5~-phosphanonadecan-19-yl]-1,2,3,4-tetrahydro pyrimido[4,5-b]quinolin-10-ium | C29H37N5O18P

8-Hydroxy-2,4-dioxo-10-[(3S,8S,11S,13R,16R,17S,18S)-1,3,8-tricarboxy-13,16,17,18-tetrahydroxy-11-methyl-13-oxido-5,10-dioxo-12,14-dioxa-4,9-diaza-13λ5-phosphanonadecan-19-yl]-1,2,3,4-tetrahydro pyrimido[4,5-b]quinolin-10-ium

  • Molecular FormulaC29H37N5O18P
  • Average mass774.600 Da
  • Monoisotopic mass774.186584 Da
  • ChemSpider ID4483977

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

8-Hydroxy-2,4-dioxo-10-[(3S,8S,11S,13R,16R,17S,18S)-1,3,8-tricarboxy-13,16,17,18-tetrahydroxy-11-methyl-13-oxido-5,10-dioxo-12,14-dioxa-4,9-diaza-13λ5-phosphanonadecan-19-yl]-1,2,3,4-tetrahydro pyrimido[4,5-b]chinolin-10-ium [German] [ACD/IUPAC Name]
8-Hydroxy-2,4-dioxo-10-[(3S,8S,11S,13R,16R,17S,18S)-1,3,8-tricarboxy-13,16,17,18-tetrahydroxy-11-methyl-13-oxido-5,10-dioxo-12,14-dioxa-4,9-diaza-13λ5-phosphanonadecan-19-yl]-1,2,3,4-tetrahydro pyrimido[4,5-b]quinolin-10-ium [ACD/IUPAC Name]
8-Hydroxy-2,4-dioxo-10-[(3S,8S,11S,13R,16R,17S,18S)-1,3,8-tricarboxy-13,16,17,18-tétrahydroxy-11-méthyl-5,10-dioxo-13-oxydo-12,14-dioxa-4,9-diaza-13λ5-phosphanonadécan-19-yl]-1,2,3,4-tétrahydro pyrimido[4,5-b]quinoléin-10-ium [French] [ACD/IUPAC Name]
D-Ribitol, 5-O-[(R)-[(1S)-2-[[(1S)-1-carboxy-4-[[(1S)-1,3-dicarboxypropyl]amino]-4-oxobutyl]amino]-1-methyl-2-oxoethoxy]hydroxyphosphinyl]-1-deoxy-1-(1,2,3,4-tetrahydro-8-hydroxy-2,4-dioxopyrimido[4,5 -b]quinolinium-10-yl)- [ACD/Index Name]
F42

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: 12
#Freely Rotating Bonds: 24
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 379 Å2
Polarizability:
Surface Tension:
Molar Volume:

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