ChemSpider 2D Image | 3'-O-salicyl-AMP | C17H18N5O9P

3'-O-salicyl-AMP

  • Molecular FormulaC17H18N5O9P
  • Average mass467.327 Da
  • Monoisotopic mass467.084198 Da
  • ChemSpider ID26331887

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-(2-Hydroxybenzoyl)adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
3'-O-(2-Hydroxybenzoyl)adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
3'-O-(2-Hydroxybenzoyl)adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
3'-O-salicyl-AMP
Adenosine, 5'-(dihydrogen phosphate) 3'-(2-hydroxybenzoate) [ACD/Index Name]
2-hydroxybenzoyl-AMP
  • Miscellaneous

    • Chemical Class:

      An adenosine 5'-monophosphate having a salicyl group at the 3'-position; intermediate in mycobactin biosynthesis. ChEBI CHEBI:60351

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

Density: 2.0±0.1 g/cm3
Boiling Point: 832.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 457.5±37.1 °C
Index of Refraction: 1.805
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 103.1±7.0 dyne/cm
Molar Volume: 237.2±7.0 cm3

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