ChemSpider 2D Image | 3-[1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-formyl-4H-pyridin-4-yl]-2-oxo-propanoic acid | C24H30N6O17P2

3-[1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-formyl-4H-pyridin-4-yl]-2-oxo-propanoic acid

  • Molecular FormulaC24H30N6O17P2
  • Average mass736.472 Da
  • Monoisotopic mass736.114258 Da
  • ChemSpider ID28570352

More details:

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

12036-37-2 [RN]
3-[1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-3-FORMYL-4H-PYRIDIN-4-YL]-2-OXO-PROPANOIC ACID

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1093.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 168.1±3.0 kJ/mol
Flash Point: 614.8±37.1 °C
Index of Refraction: 1.811
Molar Refractivity: 150.3±0.5 cm3
#H bond acceptors: 23
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -4.76
ACD/LogD (pH 5.5): -10.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 366 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 119.0±7.0 dyne/cm
Molar Volume: 348.2±7.0 cm3

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