ChemSpider 2D Image | [(2R,5R)-5-(2-Amino-8-{[(Z)-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

[(2R,5R)-5-(2-Amino-8-{[(Z)-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 ID4952548
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

[(2R,5R)-5-(2-Amino-8-{[(Z)-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]
[(2R,5R)-5-(2-Amino-8-{[(Z)-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-[[(Z)-2-(4-azidophenyl)ethenyl]sulfinyl]-9-[(2R,5R)-2,5-dihydro-4-hydroxy-5-[(phosphonooxy)methyl]-2-furanyl]-3,9-dihydro- [ACD/Index Name]
Dihydrogénophosphate de [(2R,5R)-5-(2-amino-8-{[(Z)-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]
149478-71-7 [RN]
8-(4-Azidophenacyl)thio-cyclic GMP
Apt-cgmp
Guanosine, 8-((2-(4-azidophenyl)-2-oxoethyl)thio)-, cyclic 3',5'-(hydrogen phosphate)

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

Density:
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Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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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