ChemSpider 2D Image | 3'-MANT-GDP | C18H22N6O12P2

3'-MANT-GDP

  • Molecular FormulaC18H22N6O12P2
  • Average mass576.348 Da
  • Monoisotopic mass576.077087 Da
  • ChemSpider ID559279

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-MANT-GDP
3'-O-[2-(Methylamino)benzoyl]guanosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
3'-O-[2-(Methylamino)benzoyl]guanosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
3'-O-[2-(Méthylamino)benzoyl]guanosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Guanosine, 3'-[2-(methylamino)benzoate] 5'-(trihydrogen diphosphate) [ACD/Index Name]
[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-3-{[2-(methylamino)phenyl]carbonyloxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
3'-O-(N- methylanthraniloyl)guanosine 5'-diphosphate
3'-O-(N-methylanthraniloyl)-GDP
3'-O-(N-methylanthraniloyl)guanosine 5'-diphosphate
3'-O-(N-Methylanthraniloyl)guanosine-5'-Diphosphate
More...
  • Miscellaneous

    • Chemical Class:

      A purine ribonucleoside 5'-diphosphate that is GDP substituted at position 3' by an <element>N</element>-methylanthraniloyl group. ChEBI CHEBI:85434
      A purine ribonucleoside 5'-diphosphate that is GDP substituted at the 3' position by an N-methylanthraniloyl group. ChEBI CHEBI:85434

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

Density: 2.1±0.1 g/cm3
Boiling Point: 978.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 545.6±37.1 °C
Index of Refraction: 1.803
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -6.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 114.0±7.0 dyne/cm
Molar Volume: 278.4±7.0 cm3

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