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Search term: DTAKVQMQJSRZPC-NLGGRGNSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5'-O-[(R)-Hydroxy{[(2E)-3-(5-methoxy-4-oxo-1,5-cyclohexadien-1-yl)-2-propenoyl]oxy}phosphoryl]adenosine | C20H22N5O10P

5'-O-[(R)-Hydroxy{[(2E)-3-(5-methoxy-4-oxo-1,5-cyclohexadien-1-yl)-2-propenoyl]oxy}phosphoryl]adenosine

  • Molecular FormulaC20H22N5O10P
  • Average mass523.390 Da
  • Monoisotopic mass523.110413 Da
  • ChemSpider ID59052746

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(R)-Hydroxy{[(2E)-3-(5-methoxy-4-oxo-1,5-cyclohexadien-1-yl)-2-propenoyl]oxy}phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(R)-Hydroxy{[(2E)-3-(5-methoxy-4-oxo-1,5-cyclohexadien-1-yl)-2-propenoyl]oxy}phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(R)-Hydroxy{[(2E)-3-(5-méthoxy-4-oxo-1,5-cyclohexadién-1-yl)-2-propenoyl]oxy}phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-hydroxy[[(2E)-3-(5-methoxy-4-oxo-1,5-cyclohexadien-1-yl)-1-oxo-2-propen-1-yl]oxy]phosphinyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 858.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 472.8±37.1 °C
Index of Refraction: 1.736
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 85.0±7.0 dyne/cm
Molar Volume: 290.9±7.0 cm3

Click to predict properties on the Chemicalize site


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