Found 1 result

Search term: MF = 'C_{19}H_{20}N_{3}O_{13}P_{3}'
ChemSpider 2D Image | 2'-Deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate) | C19H20N3O13P3

2'-Deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC19H20N3O13P3
  • Average mass591.296 Da
  • Monoisotopic mass591.020874 Da
  • ChemSpider ID35033436

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2'-Desoxy-5-[(4-ethinylphenyl)ethinyl]cytidin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-5-[(4-éthynylphényl)éthynyl]cytidine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Cytidine, 2'-deoxy-5-[2-(4-ethynylphenyl)ethynyl]-, 5'-(tetrahydrogen triphosphate) [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: 857.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 472.2±37.1 °C
Index of Refraction: 1.691
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -9.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 95.8±7.0 dyne/cm
Molar Volume: 326.6±7.0 cm3

Click to predict properties on the Chemicalize site


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