ChemSpider 2D Image | 2-Amino-3-(1-{[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-2,3,4,10-tetrahydrobenzo[g]pteridin-8-yl]methyl}-1H-imidazol-4-yl)propanoic acid | C23H27N7O8

2-Amino-3-(1-{[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-2,3,4,10-tetrahydrobenzo[g]pteridin-8-yl]methyl}-1H-imidazol-4-yl)propanoic acid

  • Molecular FormulaC23H27N7O8
  • Average mass529.503 Da
  • Monoisotopic mass529.192139 Da
  • ChemSpider ID168143

More details:

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

2-Amino-3-(1-{[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-2,3,4,10-tetrahydrobenzo[g]pteridin-8-yl]methyl}-1H-imidazol-4-yl)propanoic acid [ACD/IUPAC Name]
2-Amino-3-(1-{[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-2,3,4,10-tetrahydrobenzo[g]pteridin-8-yl]methyl}-1H-imidazol-4-yl)propansäure [German] [ACD/IUPAC Name]
Acide 2-amino-3-(1-{[7-méthyl-2,4-dioxo-10-(2,3,4,5-tétrahydroxypentyl)-2,3,4,10-tétrahydrobenzo[g]ptéridin-8-yl]méthyl}-1H-imidazol-4-yl)propanoïque [French] [ACD/IUPAC Name]
Pentitol, 1-[8-[[4-(2-amino-2-carboxyethyl)-1H-imidazol-1-yl]methyl]-3,4-dihydro-7-methyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl]-1-deoxy- [ACD/Index Name]
37854-44-7 [RN]
8α-(N(3)-Histidyl)riboflavin
N(3)-Histidylriboflavin

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.780
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.34
ACD/LogD (pH 5.5): -6.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 83.6±7.0 dyne/cm
Molar Volume: 302.7±7.0 cm3

Click to predict properties on the Chemicalize site


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