ChemSpider 2D Image | 2-Amino-9-(2,5-anhydro-4-{[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]methyl}-alpha-L-lyxofuranosyl)-1,9-dihydro-6H-purin-6-one | C11H16N5O14P3

2-Amino-9-(2,5-anhydro-4-{[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]methyl}-α-L-lyxofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC11H16N5O14P3
  • Average mass535.191 Da
  • Monoisotopic mass534.990662 Da
  • ChemSpider ID34220278

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-9-(2,5-anhydro-4-{[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]methyl}-α-L-lyxofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-(2,5-anhydro-4-{[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]methyl}-α-L-lyxofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-(2,5-anhydro-4-{[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]méthyl}-α-L-lyxofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[2,5-anhydro-4-C-[[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]methyl]-α-L-lyxofuranosyl]-1,9-dihydro- [ACD/Index Name]

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

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.968
Molar Refractivity: 93.8±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.03
ACD/LogD (pH 5.5): -10.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 220.7±7.0 dyne/cm
Molar Volume: 191.7±7.0 cm3

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