ChemSpider 2D Image | CP608,039 | C23H25ClN8O5

CP608,039

  • Molecular FormulaC23H25ClN8O5
  • Average mass528.948 Da
  • Monoisotopic mass528.163635 Da
  • ChemSpider ID34980839

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-3-Amino-5-{6-[(5-chlor-2-{[(3-methyl-1,2-oxazol-5-yl)oxy]methyl}benzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-methyltetrahydro-2-furancarboximidsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-3-Amino-5-{6-[(5-chloro-2-{[(3-methyl-1,2-oxazol-5-yl)oxy]methyl}benzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-methyltetrahydro-2-furancarboximidic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S,3S,4R,5R)-3-amino-5-{6-[(5-chloro-2-{[(3-méthyl-1,2-oxazol-5-yl)oxy]méthyl}benzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-méthyltétrahydro-2-furanecarboximidique (non-preferred name) [French] [ACD/IUPAC Name]
CP608,039
(2S,3S,4R,5R)-3-amino-5-[6-[[5-chloro-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]phenyl]methylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide
331727-55-0 [RN]
CP-608,039

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

Density: 1.7±0.1 g/cm3
Boiling Point: 843.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.0±37.1 °C
Index of Refraction: 1.757
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 33.90
Polar Surface Area: 179 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 317.1±7.0 cm3

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