ChemSpider 2D Image | 3'-O-(4-Benzoylbenzoyl)adenosine 5'-(trihydrogen diphosphate) | C24H23N5O12P2

3'-O-(4-Benzoylbenzoyl)adenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC24H23N5O12P2
  • Average mass635.413 Da
  • Monoisotopic mass635.081848 Da
  • ChemSpider ID2300360

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-(4-Benzoylbenzoyl)adenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
3'-O-(4-Benzoylbenzoyl)adenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
3'-O-(4-Benzoylbenzoyl)adénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-(4-benzoylbenzoate) 5'-(trihydrogen diphosphate) [ACD/Index Name]
3'-O-(4-Benzoyl)benzoyladenosine diphosphate
3'-O-(4-Benzoyl)benzoyl-ADP
87550-03-6 [RN]
Adenosine 5'-(trihydrogen diphsophate), 3'-(4-benzoylbenzoate)
BzADP

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

Density: 1.9±0.1 g/cm3
Boiling Point: 971.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.2±3.0 kJ/mol
Flash Point: 541.1±37.1 °C
Index of Refraction: 1.765
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -5.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 275 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 97.1±7.0 dyne/cm
Molar Volume: 342.2±7.0 cm3

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