ChemSpider 2D Image | 3'-O-(3,4-Di-O-phosphono-alpha-D-xylopyranosyl)adenosine 2'-(dihydrogen phosphate) | C15H24N5O17P3

3'-O-(3,4-Di-O-phosphono-α-D-xylopyranosyl)adenosine 2'-(dihydrogen phosphate)

  • Molecular FormulaC15H24N5O17P3
  • Average mass639.296 Da
  • Monoisotopic mass639.038025 Da
  • ChemSpider ID8993192

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3'-O-(3,4-Di-O-phosphono-α-D-xylopyranosyl)adenosin2'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
3'-O-(3,4-Di-O-phosphono-α-D-xylopyranosyl)adenosine 2'-(dihydrogen phosphate) [ACD/IUPAC Name]
3'-O-(3,4-Di-O-phosphono-α-D-xylopyranosyl)adénosine-2'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-(3,4-di-O-phosphono-α-D-xylopyranosyl)-, 2'-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1120.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.7±3.0 kJ/mol
Flash Point: 631.2±37.1 °C
Index of Refraction: 1.876
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -11.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 367 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 171.0±7.0 dyne/cm
Molar Volume: 251.4±7.0 cm3

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