ChemSpider 2D Image | N-SULFO-FLAVIN MONONUCLEOTIDE | C17H21N4O12PS

N-SULFO-FLAVIN MONONUCLEOTIDE

  • Molecular FormulaC17H21N4O12PS
  • Average mass536.407 Da
  • Monoisotopic mass536.061401 Da
  • ChemSpider ID26329655
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

5-Deoxy-5-(7,8-dimethyl-2,4-dioxo-5-sulfonato-3,4-dihydrobenzo[g]pteridin-5-ium-10(2H)-yl)-1-O-phosphono-D-arabinitol [ACD/IUPAC Name]
5-Desoxy-5-(7,8-dimethyl-2,4-dioxo-5-sulfonato-3,4-dihydrobenzo[g]pteridin-5-ium-10(2H)-yl)-1-O-phosphono-D-arabinitol [German] [ACD/IUPAC Name]
5-Désoxy-5-(7,8-diméthyl-2,4-dioxo-5-sulfonato-3,4-dihydrobenzo[g]ptéridin-5-ium-10(2H)-yl)-1-O-phosphono-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 5-deoxy-5-(3,4-dihydro-7,8-dimethyl-2,4-dioxo-5-sulfobenzo[g]pteridinium-10(2H)-yl)-, 1-(dihydrogen phosphate), inner salt [ACD/Index Name]
N-SULFO-FLAVIN MONONUCLEOTIDE
7,8-dimethyl-2,4-dioxo-10-[(2R,3R,4R)-2,3,4-trihydroxy-5-(phosphonooxy)pentyl]-2H,3H,4H,10H-benzo[g]pteridin-5-ium-5-sulfonate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#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: 268 Å2
Polarizability:
Surface Tension:
Molar Volume:

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