ChemSpider 2D Image | 5'-O-[(S)-{[(2R)-2-Amino-6-{[(2-propyn-1-yloxy)carbonyl]amino}hexanoyl]oxy}(hydroxy)phosphoryl]adenosine | C20H28N7O10P

5'-O-[(S)-{[(2R)-2-Amino-6-{[(2-propyn-1-yloxy)carbonyl]amino}hexanoyl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC20H28N7O10P
  • Average mass557.451 Da
  • Monoisotopic mass557.163513 Da
  • ChemSpider ID35034679
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

5'-O-[(S)-{[(2R)-2-Amino-6-{[(2-propin-1-yloxy)carbonyl]amino}hexanoyl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(S)-{[(2R)-2-Amino-6-{[(2-propyn-1-yloxy)carbonyl]amino}hexanoyl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(S)-{[(2R)-2-Amino-6-{[(2-propyn-1-yloxy)carbonyl]amino}hexanoyl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(S)-[[(2R)-2-amino-1-oxo-6-[[(2-propyn-1-yloxy)carbonyl]amino]hexyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 81.9±7.0 dyne/cm
Molar Volume: 320.8±7.0 cm3

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