ChemSpider 2D Image | 5'-O-[(S)-[(6-Carboxyhexanoyl)oxy](hydroxy)phosphoryl]adenosine | C17H24N5O10P

5'-O-[(S)-[(6-Carboxyhexanoyl)oxy](hydroxy)phosphoryl]adenosine

  • Molecular FormulaC17H24N5O10P
  • Average mass489.374 Da
  • Monoisotopic mass489.126068 Da
  • ChemSpider ID59051711
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5'-O-[(S)-[(6-Carboxyhexanoyl)oxy](hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(S)-[(6-Carboxyhexanoyl)oxy](hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(S)-[(6-Carboxyhexanoyl)oxy](hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(S)-[(6-carboxy-1-oxohexyl)oxy]hydroxyphosphinyl]- [ACD/Index Name]
Pimeloyl-Amp
WAQ

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

Density: 1.9±0.1 g/cm3
Boiling Point: 840.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 462.2±37.1 °C
Index of Refraction: 1.733
Molar Refractivity: 105.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -5.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 92.8±7.0 dyne/cm
Molar Volume: 263.0±7.0 cm3

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