ChemSpider 2D Image | 3-{4-[2-({6-Amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}amino)ethyl]phenyl}propanoic acid | C23H29N7O6

3-{4-[2-({6-Amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}amino)ethyl]phenyl}propanoic acid

  • Molecular FormulaC23H29N7O6
  • Average mass499.520 Da
  • Monoisotopic mass499.217926 Da
  • ChemSpider ID26381905

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-{4-[2-({6-Amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}amino)ethyl]phenyl}propanoic acid [ACD/IUPAC Name]
3-{4-[2-({6-Amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}amino)ethyl]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[2-({6-amino-9-[(2R,3R,4R,5S)-5-(éthylcarbamoyl)-3,4-dihydroxytétrahydro-2-furanyl]-9H-purin-2-yl}amino)éthyl]phényl}propanoïque [French] [ACD/IUPAC Name]
124182-57-6 [RN]
4-[2-[[6-Amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]benzenepropanoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.89
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 311.4±7.0 cm3

Click to predict properties on the Chemicalize site


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