ChemSpider 2D Image | CARBOXYETHYLLUMAZINE | C14H18N4O9

CARBOXYETHYLLUMAZINE

  • Molecular FormulaC14H18N4O9
  • Average mass386.314 Da
  • Monoisotopic mass386.107391 Da
  • ChemSpider ID26330135

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[6-(2-Carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydro-8(2H)-pteridinyl]-1-deoxy-D-xylitol [ACD/IUPAC Name]
1-[6-(2-Carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydro-8(2H)-pteridinyl]-1-desoxy-D-xylitol [German] [ACD/IUPAC Name]
1-[6-(2-Carboxyéthyl)-2,4,7-trioxo-1,3,4,7-tétrahydro-8(2H)-ptéridinyl]-1-désoxy-D-xylitol [French] [ACD/IUPAC Name]
CARBOXYETHYLLUMAZINE
D-Xylitol, 1-[6-(2-carboxyethyl)-1,3,4,7-tetrahydro-2,4,7-trioxo-8(2H)-pteridinyl]-1-deoxy- [ACD/Index Name]
3-{2,4,7-trioxo-8-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,4,7,8-hexahydropteridin-6-yl}propanoic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.27
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 95.7±7.0 dyne/cm
Molar Volume: 201.4±7.0 cm3

Click to predict properties on the Chemicalize site


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