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Search term: LUQUWKZWZFRYGL-LTOLZBHSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5'-O-[(R)-{[(3S)-3-Aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine | C14H21N6O8P

5'-O-[(R)-{[(3S)-3-Aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC14H21N6O8P
  • Average mass432.326 Da
  • Monoisotopic mass432.115845 Da
  • ChemSpider ID59053012

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-[(R)-{[(3S)-3-Aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(R)-{[(3S)-3-Aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(R)-{[(3S)-3-Aminobutanoyl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-[(3S)-3-amino-1-oxobutoxy]hydroxyphosphinyl]- [ACD/Index Name]
6L1

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

Density: 2.0±0.1 g/cm3
Boiling Point: 765.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.6±35.7 °C
Index of Refraction: 1.789
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 103.0±7.0 dyne/cm
Molar Volume: 216.2±7.0 cm3

Click to predict properties on the Chemicalize site


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