ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] phosphate | C21H29N10O18P3

[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] phosphate

  • Molecular FormulaC21H29N10O18P3
  • Average mass802.432 Da
  • Monoisotopic mass802.087402 Da
  • ChemSpider ID108798

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate
62828-64-2 [RN]
7-methyl-diguanosine triphosphate
7-Methyl-gpppg
7mGpppG
Guanosine 5'-(tetrahydrogen triphosphate), 5'-5'-ester with 2-amino-6,9-dihydro-7-methyl-6-oxo-9-β-D-ribofuranosyl-1H-purinium hydroxide, inner salt
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3351000/
m(7)Gpppg
m7G(5')Ppp(5')G

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 28
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 442 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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