ChemSpider 2D Image | (2R,3R,4S)-2-(6-[(2,2-Diphenylethyl)amino]-2-{[2-(2-pyridinyl)ethyl]amino}-9H-purin-9-yl)-5-(1H-1,2,4-triazol-5-yl)tetrahydro-3,4-furandiol | C32H32N10O3

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

  • Molecular FormulaC32H32N10O3
  • Average mass604.662 Da
  • Monoisotopic mass604.265869 Da
  • ChemSpider ID8027460

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 975.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 543.5±37.1 °C
Index of Refraction: 1.770
Molar Refractivity: 166.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 164.93
ACD/KOC (pH 5.5): 1121.40
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 308.00
ACD/KOC (pH 7.4): 2094.18
Polar Surface Area: 172 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 67.2±7.0 dyne/cm
Molar Volume: 401.2±7.0 cm3

Click to predict properties on the Chemicalize site


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