ChemSpider 2D Image | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE | C11H20N5O14P3

7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE

  • Molecular FormulaC11H20N5O14P3
  • Average mass539.223 Da
  • Monoisotopic mass539.021973 Da
  • ChemSpider ID26329981

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-7-methyl-1,7,8,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-7-methyl-1,7,8,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-7-méthyl-1,7,8,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,7,8,9-tetrahydro-9-[5-O-[(R)-hydroxy[[(R)-hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-α-L-arabinofuranosyl]-7-methyl- [ACD/Index Name]
7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
({[({[(2S,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
({[(2S,3R,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.872
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.90
ACD/LogD (pH 5.5): -10.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 179.8±7.0 dyne/cm
Molar Volume: 210.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement