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Search term: LRQYIOTYGIOTKQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl N-[{[(2R,4R)-4-(2-amino-6-hydroxy-9H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy}(phenoxy)phosphoryl]-L-alaninate | C20H25N6O8P

Ethyl N-[{[(2R,4R)-4-(2-amino-6-hydroxy-9H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy}(phenoxy)phosphoryl]-L-alaninate

  • Molecular FormulaC20H25N6O8P
  • Average mass508.422 Da
  • Monoisotopic mass508.147156 Da
  • ChemSpider ID34530778

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Ethyl N-[{[(2R,4R)-4-(2-amino-6-hydroxy-9H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy}(phenoxy)phosphoryl]-L-alaninate [ACD/IUPAC Name]
Ethyl-N-[{[(2R,4R)-4-(2-amino-6-hydroxy-9H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy}(phenoxy)phosphoryl]-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[[[(2R,4R)-4-(2-amino-6-hydroxy-9H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy]phenoxyphosphinyl]-, ethyl ester [ACD/Index Name]
N-[{[(2R,4R)-4-(2-Amino-6-hydroxy-9H-purin-9-yl)-1,3-dioxolan-2-yl]méthoxy}(phénoxy)phosphoryl]-L-alaninate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 738.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 400.6±35.7 °C
Index of Refraction: 1.692
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 309.5±7.0 cm3

Click to predict properties on the Chemicalize site


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