ChemSpider 2D Image | Ethyl N-[(S)-({[(2S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]methoxy}methyl)(phenoxy)phosphoryl]-L-alaninate | C22H26FN6O6P

Ethyl N-[(S)-({[(2S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]methoxy}methyl)(phenoxy)phosphoryl]-L-alaninate

  • Molecular FormulaC22H26FN6O6P
  • Average mass520.451 Da
  • Monoisotopic mass520.163574 Da
  • ChemSpider ID9744676

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Ethyl N-[(S)-({[(2S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]methoxy}methyl)(phenoxy)phosphoryl]-L-alaninate [ACD/IUPAC Name]
Ethyl-N-[(S)-({[(2S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluor-2,5-dihydro-2-furanyl]methoxy}methyl)(phenoxy)phosphoryl]-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(S)-[(1S)-[[(2S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]methoxy]methyl]phenoxyphosphinyl]-, ethyl ester [ACD/Index Name]
N-[(S)-({[(2S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]méthoxy}méthyl)(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: 1.5±0.1 g/cm3
Boiling Point: 707.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.4±35.7 °C
Index of Refraction: 1.658
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.36
ACD/KOC (pH 5.5): 359.03
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.12
ACD/KOC (pH 7.4): 369.42
Polar Surface Area: 163 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 340.7±7.0 cm3

Click to predict properties on the Chemicalize site


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