ChemSpider 2D Image | [5-(2-Amino-8-{[(E)-2-(4-azidophenyl)vinyl]sulfinyl}-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]methyl dihydrogen phosphate | C18H17N8O8PS

[5-(2-Amino-8-{[(E)-2-(4-azidophenyl)vinyl]sulfinyl}-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]methyl dihydrogen phosphate

  • Molecular FormulaC18H17N8O8PS
  • Average mass536.415 Da
  • Monoisotopic mass536.062744 Da
  • ChemSpider ID57429938

  • Double-bond stereo - Double-bond stereo

More details:

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

[5-(2-Amino-8-{[(E)-2-(4-azidophenyl)vinyl]sulfinyl}-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[5-(2-Amino-8-{[(E)-2-(4-azidophenyl)vinyl]sulfinyl}-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-8-[[(E)-2-(4-azidophenyl)ethenyl]sulfinyl]-9-[2,5-dihydro-4-hydroxy-5-[(phosphonooxy)methyl]-2-furanyl]-3,9-dihydro- [ACD/Index Name]
Dihydrogénophosphate de [5-(2-amino-8-{[(E)-2-(4-azidophényl)vinyl]sulfinyl}-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
8-(4-Azidophenacyl)thio-cyclic GMP

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability:
Surface Tension:
Molar Volume:

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