ChemSpider 2D Image | 3'-O-(4-benzoyl)benzoyladenosine 5'-triphosphate | C24H24N5O15P3

3'-O-(4-benzoyl)benzoyladenosine 5'-triphosphate

  • Molecular FormulaC24H24N5O15P3
  • Average mass715.393 Da
  • Monoisotopic mass715.048157 Da
  • ChemSpider ID103081

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-(4-benzoyl)benzoyladenosine 5'-triphosphate
3'-O-(4-Benzoylbenzoyl)adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-O-(4-Benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-O-(4-Benzoylbenzoyl)adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
81790-82-1 [RN]
Adenosine, 3'-(4-benzoylbenzoate) 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-(benzoyl)benzoate
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] 4-phenylcarbonylbenzoate
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-(benzoyl)benzoate
107610-19-5 [RN]
More...

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

4P5DXU1F8Q [DBID]
C13744 [DBID]
RH-421 [DBID]
UNII:4P5DXU1F8Q [DBID]
UNII-4P5DXU1F8Q [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1038.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.0±3.0 kJ/mol
Flash Point: 581.5±37.1 °C
Index of Refraction: 1.773
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 20
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -8.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 110.0±7.0 dyne/cm
Molar Volume: 363.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement