ChemSpider 2D Image | 8-[Acetyl(9H-fluoren-2-yl)amino]-2-amino-9-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-one | C25H25N6O8P

8-[Acetyl(9H-fluoren-2-yl)amino]-2-amino-9-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC25H25N6O8P
  • Average mass568.475 Da
  • Monoisotopic mass568.147156 Da
  • ChemSpider ID114816672

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6H-Purin-6-one, 8-(acetyl-9H-fluoren-2-ylamino)-2-amino-9-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-3,9-dihydro- [ACD/Index Name]
8-[Acetyl(9H-fluoren-2-yl)amino]-2-amino-9-(2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
8-[Acetyl(9H-fluoren-2-yl)amino]-2-amino-9-(2-desoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
8-[Acétyl(9H-fluorén-2-yl)amino]-2-amino-9-(2-désoxy-5-O-phosphono-β-D-thréo-pentofuranosyl)-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC 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: 943.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 524.7±37.1 °C
Index of Refraction: 1.822
Molar Refractivity: 136.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.16
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 212 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 90.7±7.0 dyne/cm
Molar Volume: 311.9±7.0 cm3

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