ChemSpider 2D Image | N-Cyclopentyl-9-[(4xi)-5-O-phosphono-alpha-D-erythro-pentofuranosyl]-8,9-dihydro-7H-purin-6-amine | C15H24N5O7P

N-Cyclopentyl-9-[(4ξ)-5-O-phosphono-α-D-erythro-pentofuranosyl]-8,9-dihydro-7H-purin-6-amine

  • Molecular FormulaC15H24N5O7P
  • Average mass417.354 Da
  • Monoisotopic mass417.141327 Da
  • ChemSpider ID111306988

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

7H-Purin-6-amine, N-cyclopentyl-8,9-dihydro-9-[(4ξ)-5-O-phosphono-α-D-erythro-pentofuranosyl]- [ACD/Index Name]
N-Cyclopentyl-9-[(4ξ)-5-O-phosphono-α-D-erythro-pentofuranosyl]-8,9-dihydro-7H-purin-6-amin [German] [ACD/IUPAC Name]
N-Cyclopentyl-9-[(4ξ)-5-O-phosphono-α-D-erythro-pentofuranosyl]-8,9-dihydro-7H-purin-6-amine [ACD/IUPAC Name]
N-Cyclopentyl-9-[(4ξ)-5-O-phosphono-α-D-érythro-pentofuranosyl]-8,9-dihydro-7H-purin-6-amine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 774.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.2±35.7 °C
Index of Refraction: 1.693
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -2.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 102.4±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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