ChemSpider 2D Image | 2-Amino-9-{6-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-6-deoxy-5-O-phosphono-beta-D-allofuranosyl}-3,9-dihydro-6H-purin-6-one | C20H26N10O15P2

2-Amino-9-{6-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-6-deoxy-5-O-phosphono-β-D-allofuranosyl}-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC20H26N10O15P2
  • Average mass708.426 Da
  • Monoisotopic mass708.105408 Da
  • ChemSpider ID146657

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-Amino-9-{6-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-6-deoxy-5-O-phosphono-β-D-allofuranosyl}-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{6-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-6-desoxy-5-O-phosphono-β-D-allofuranosyl}-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{6-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-6-désoxy-5-O-phosphono-β-D-allofuranosyl}-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
17332-09-1 [RN]
Diguanylic acid
GpGp
Guanylyl-(3'-5')-3'-guanylic acid

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1354.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 214.4±3.0 kJ/mol
Flash Point: 773.2±37.1 °C
Index of Refraction: 2.081
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 25
#H bond donors: 13
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -7.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 403 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 195.9±7.0 dyne/cm
Molar Volume: 262.6±7.0 cm3

Click to predict properties on the Chemicalize site


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