ChemSpider 2D Image | (2R,5S)-2-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-5-[(phosphonooxy)methyl]-2,5-dihydro-3-furanyl 4-benzoylbenzoate | C24H20N5O9P

(2R,5S)-2-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-5-[(phosphonooxy)methyl]-2,5-dihydro-3-furanyl 4-benzoylbenzoate

  • Molecular FormulaC24H20N5O9P
  • Average mass553.417 Da
  • Monoisotopic mass553.099854 Da
  • ChemSpider ID166909

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,5S)-2-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-5-[(phosphonooxy)methyl]-2,5-dihydro-3-furanyl 4-benzoylbenzoate [ACD/IUPAC Name]
(2R,5S)-2-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-5-[(phosphonooxy)methyl]-2,5-dihydro-3-furanyl-4-benzoylbenzoat [German] [ACD/IUPAC Name]
4-Benzoylbenzoate de (2R,5S)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-5-[(phosphonooxy)méthyl]-2,5-dihydro-3-furanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-benzoyl-, (2R,5S)-2-(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)-2,5-dihydro-5-[(phosphonooxy)methyl]-3-furanyl ester [ACD/Index Name]
137154-74-6 [RN]
2'-O-(4-Benzoylbenzoyl)guanosine cyclic 3',5'-monophosphate
Bbcgmp

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

Density: 1.7±0.1 g/cm3
Boiling Point: 927.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 514.7±37.1 °C
Index of Refraction: 1.756
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 83.9±7.0 dyne/cm
Molar Volume: 321.0±7.0 cm3

Click to predict properties on the Chemicalize site


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