Found 1 result

Search term: UBYUMSGWGXUICY-SWQDORGXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5'-{[(3S)-3-Amino-3-carboxypropyl](4-fluorobenzyl)amino}-5'-deoxyadenosine | C21H26FN7O5

5'-{[(3S)-3-Amino-3-carboxypropyl](4-fluorobenzyl)amino}-5'-deoxyadenosine

  • Molecular FormulaC21H26FN7O5
  • Average mass475.473 Da
  • Monoisotopic mass475.197937 Da
  • ChemSpider ID59053847

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-{[(3S)-3-Amino-3-carboxypropyl](4-fluorbenzyl)amino}-5'-desoxyadenosin [German] [ACD/IUPAC Name]
5'-{[(3S)-3-Amino-3-carboxypropyl](4-fluorobenzyl)amino}-5'-deoxyadenosine [ACD/IUPAC Name]
5'-{[(3S)-3-Amino-3-carboxypropyl](4-fluorobenzyl)amino}-5'-désoxyadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-[[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino]-5'-deoxy- [ACD/Index Name]
5'-{[(3s)-3-Amino-3-Carboxypropyl][(4-Fluorophenyl)methyl]amino}-5'-Deoxyadenosine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4518968/
KB1

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

Density: 1.7±0.1 g/cm3
Boiling Point: 790.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 431.9±35.7 °C
Index of Refraction: 1.741
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 284.0±7.0 cm3

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