ChemSpider 2D Image | (4aR,6R,7R,7aR)-6-(2-Amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl 4-benzoylbenzoate | C24H20N5O9P

(4aR,6R,7R,7aR)-6-(2-Amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl 4-benzoylbenzoate

  • Molecular FormulaC24H20N5O9P
  • Average mass553.417 Da
  • Monoisotopic mass553.099854 Da
  • ChemSpider ID34222141

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4aR,6R,7R,7aR)-6-(2-Amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl 4-benzoylbenzoate [ACD/IUPAC Name]
(4aR,6R,7R,7aR)-6-(2-Amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl-4-benzoylbenzoat [German] [ACD/IUPAC Name]
4-Benzoylbenzoate de (4aR,6R,7R,7aR)-6-(2-amino-6-oxo-5,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxydotétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-benzoyl-, (4aR,6R,7R,7aR)-6-(2-amino-5,6-dihydro-6-oxo-9H-purin-9-yl)tetrahydro-2-hydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-7-yl ester [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 770.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 420.0±35.7 °C
Index of Refraction: 1.805
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 6
#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: 202 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 90.4±7.0 dyne/cm
Molar Volume: 301.7±7.0 cm3

Click to predict properties on the Chemicalize site


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