ChemSpider 2D Image | 2-Amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]ox y}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-7-methyl-6-oxo-6,7-dihydro-3H-purin-9-ium | C21H30N10O17P3

2-Amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]ox y}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-7-methyl-6-oxo-6,7-dihydro-3H-purin-9-ium

  • Molecular FormulaC21H30N10O17P3
  • Average mass787.440 Da
  • Monoisotopic mass787.099792 Da
  • ChemSpider ID393721

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]ox y}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-7-methyl-6-oxo-6,7-dihydro-3H-purin-9-ium [ACD/IUPAC Name]
2-Amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]ox y}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-7-methyl-6-oxo-6,7-dihydro-3H-purin-9-ium [German] [ACD/IUPAC Name]
2-Amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]ox y}méthyl)-3,4-dihydroxytétrahydro-2-furanyl]-7-méthyl-6-oxo-6,7-dihydro-3H-purin-9-ium [French] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-7-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphatem(7)-GpppA
2-amino-9-[(2R,3R,4S,5R)-5-({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-7-methyl-6-oxo-6,7-dihydro-3H-1,3,7,9λ5-purin-9-ylium
2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)7-methyl-GpppA
7-METHYL-GPPPA
GTA
m(7)GP3A
m(7)GpppA
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  • Miscellaneous

    • Chemical Class:

      A guanosine 5'-phosphate that is 7-methyl-GTP(1+) in which the hydroxy group of the terminal phosphate is substituted by an adenosyl group. It is a cap analog that can be incorporated into mRNA. ChEBI CHEBI:157762

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: 27
#H bond donors: 12
#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: 424 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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