ChemSpider 2D Image | 5'-Deoxy-3'-O-(3,4-di-O-phosphono-alpha-D-glucopyranosyl)-5'-phenyladenosine 2'-(dihydrogen phosphate) | C22H30N5O17P3

5'-Deoxy-3'-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)-5'-phenyladenosine 2'-(dihydrogen phosphate)

  • Molecular FormulaC22H30N5O17P3
  • Average mass729.418 Da
  • Monoisotopic mass729.084961 Da
  • ChemSpider ID9680916

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

5'-Deoxy-3'-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)-5'-phenyladenosine 2'-(dihydrogen phosphate) [ACD/IUPAC Name]
5'-Desoxy-3'-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)-5'-phenyladenosin2'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5'-Désoxy-3'-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)-5'-phényladénosine-2'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-3'-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)-5'-phenyl-, 2'-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1126.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.7±3.0 kJ/mol
Flash Point: 634.8±37.1 °C
Index of Refraction: 1.810
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.42
ACD/LogD (pH 5.5): -9.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 367 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 126.9±7.0 dyne/cm
Molar Volume: 335.0±7.0 cm3

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