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Search term: XZXXWUQOHYJTTC-XNIJJKJLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5'-O-[(S)-[(2-Aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine | C17H19N6O8P

5'-O-[(S)-[(2-Aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine

  • Molecular FormulaC17H19N6O8P
  • Average mass466.342 Da
  • Monoisotopic mass466.100189 Da
  • ChemSpider ID59051783

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(S)-[(2-Aminobenzoyl)oxy](hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(S)-[(2-Aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(S)-[(2-Aminobenzoyl)oxy](hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(S)-[(2-aminobenzoyl)oxy]hydroxyphosphinyl]- [ACD/Index Name]
3UK

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

Density: 2.0±0.1 g/cm3
Boiling Point: 841.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 462.8±37.1 °C
Index of Refraction: 1.819
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -4.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 104.8±7.0 dyne/cm
Molar Volume: 236.7±7.0 cm3

Click to predict properties on the Chemicalize site


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