ChemSpider 2D Image | (2R,3R,4S,5S)-2-{6-[(2,2-Diphenylethyl)amino]-2-[(1-hydroxy-3-phenyl-2-propanyl)amino]-9H-purin-9-yl}-5-(5-ethyl-1,3,4-oxadiazol-2-yl)tetrahydro-3,4-furandiol | C36H38N8O5

(2R,3R,4S,5S)-2-{6-[(2,2-Diphenylethyl)amino]-2-[(1-hydroxy-3-phenyl-2-propanyl)amino]-9H-purin-9-yl}-5-(5-ethyl-1,3,4-oxadiazol-2-yl)tetrahydro-3,4-furandiol

  • Molecular FormulaC36H38N8O5
  • Average mass662.737 Da
  • Monoisotopic mass662.296509 Da
  • ChemSpider ID8071657

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5S)-2-{6-[(2,2-Diphenylethyl)amino]-2-[(1-hydroxy-3-phenyl-2-propanyl)amino]-9H-purin-9-yl}-5-(5-ethyl-1,3,4-oxadiazol-2-yl)tetrahydro-3,4-furandiol [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-{6-[(2,2-Diphenylethyl)amino]-2-[(1-hydroxy-3-phenyl-2-propanyl)amino]-9H-purin-9-yl}-5-(5-ethyl-1,3,4-oxadiazol-2-yl)tetrahydro-3,4-furandiol [German] [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-{6-[(2,2-Diphényléthyl)amino]-2-[(1-hydroxy-3-phényl-2-propanyl)amino]-9H-purin-9-yl}-5-(5-éthyl-1,3,4-oxadiazol-2-yl)tétrahydro-3,4-furanediol [French] [ACD/IUPAC Name]
3,4-Furandiol, 2-[6-[(2,2-diphenylethyl)amino]-2-[[2-hydroxy-1-(phenylmethyl)ethyl]amino]-9H-purin-9-yl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)tetrahydro-, (2R,3R,4S,5S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 959.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.3±3.0 kJ/mol
Flash Point: 533.8±37.1 °C
Index of Refraction: 1.720
Molar Refractivity: 181.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2266.16
ACD/KOC (pH 5.5): 8561.07
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2464.73
ACD/KOC (pH 7.4): 9311.22
Polar Surface Area: 177 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 458.7±7.0 cm3

Click to predict properties on the Chemicalize site


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