ChemSpider 2D Image | 9-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-9H-purin-6-amine | C18H22N6O12P2

9-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-α-D-ribofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC18H22N6O12P2
  • Average mass576.348 Da
  • Monoisotopic mass576.077087 Da
  • ChemSpider ID64854455

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4500-99-6 [RN]
9-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-α-D-ribofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-α-D-ribofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[({[(4-Formyl-5-hydroxy-6-méthyl-3-pyridinyl)méthoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-α-D-ribofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-α-D-ribofuranosyl]- [ACD/Index Name]

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

IL00V5Z57E [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 972.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.4±3.0 kJ/mol
Flash Point: 541.9±37.1 °C
Index of Refraction: 1.803
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -6.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 114.0±7.0 dyne/cm
Molar Volume: 278.4±7.0 cm3

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