ChemSpider 2D Image | Methyl N-[(7,8,10-trimethyl-2,4-dioxo-4,10-dihydrobenzo[g]pteridin-3(2H)-yl)acetyl]-L-tryptophanate | C27H26N6O5

Methyl N-[(7,8,10-trimethyl-2,4-dioxo-4,10-dihydrobenzo[g]pteridin-3(2H)-yl)acetyl]-L-tryptophanate

  • Molecular FormulaC27H26N6O5
  • Average mass514.532 Da
  • Monoisotopic mass514.196472 Da
  • ChemSpider ID167982

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tryptophan, N-[2-(4,10-dihydro-7,8,10-trimethyl-2,4-dioxobenzo[g]pteridin-3(2H)-yl)acetyl]-, methyl ester [ACD/Index Name]
Methyl N-[(7,8,10-trimethyl-2,4-dioxo-4,10-dihydrobenzo[g]pteridin-3(2H)-yl)acetyl]-L-tryptophanate [ACD/IUPAC Name]
Methyl-N-[(7,8,10-trimethyl-2,4-dioxo-4,10-dihydrobenzo[g]pteridin-3(2H)-yl)acetyl]-L-tryptophanat [German] [ACD/IUPAC Name]
N-[2-(7,8,10-Triméthyl-2,4-dioxo-4,10-dihydrobenzo[g]ptéridin-3(2H)-yl)acétyl]-L-tryptophanate de méthyle [French] [ACD/IUPAC Name]
21099-87-6 [RN]
Flavinyltryptophan
L-Tryptophan, N-((4,10-dihydro-7,8,10-trimethyl-2,4-dioxobenzo(g)pteridin-3(2H)-yl)acetyl)-, methyl ester
METHYL (2S)-3-(1H-INDOL-3-YL)-2-(2-{7,8,10-TRIMETHYL-2,4-DIOXO-2H,3H,4H,10H-BENZO[G]PTERIDIN-3-YL}ACETAMIDO)PROPANOATE
METHYL (2S)-3-(1H-INDOL-3-YL)-2-(2-{7,8,10-TRIMETHYL-2,4-DIOXOBENZO[G]PTERIDIN-3-YL}ACETAMIDO)PROPANOATE
methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(7,8,10-trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetyl]amino]propanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 138.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.81
ACD/KOC (pH 5.5): 295.06
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.81
ACD/KOC (pH 7.4): 295.06
Polar Surface Area: 137 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 356.6±7.0 cm3

Click to predict properties on the Chemicalize site


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