Found 12 results

Search term: MF = 'C_{30}H_{38}N_{10}O_{2}'
ChemSpider 2D Image | (1R,2S,3R,5S)-3-(2-{[2-(1-Ethyl-1H-imidazol-4-yl)ethyl]amino}-6-[(2-phenylethyl)amino]-9H-purin-9-yl)-5-(4-ethyl-1H-pyrazol-1-yl)-1,2-cyclopentanediol | C30H38N10O2

(1R,2S,3R,5S)-3-(2-{[2-(1-Ethyl-1H-imidazol-4-yl)ethyl]amino}-6-[(2-phenylethyl)amino]-9H-purin-9-yl)-5-(4-ethyl-1H-pyrazol-1-yl)-1,2-cyclopentanediol

  • Molecular FormulaC30H38N10O2
  • Average mass570.688 Da
  • Monoisotopic mass570.317932 Da
  • ChemSpider ID9888625

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3R,5S)-3-(2-{[2-(1-Ethyl-1H-imidazol-4-yl)ethyl]amino}-6-[(2-phenylethyl)amino]-9H-purin-9-yl)-5-(4-ethyl-1H-pyrazol-1-yl)-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1R,2S,3R,5S)-3-(2-{[2-(1-Ethyl-1H-imidazol-4-yl)ethyl]amino}-6-[(2-phenylethyl)amino]-9H-purin-9-yl)-5-(4-ethyl-1H-pyrazol-1-yl)-1,2-cyclopentanediol [ACD/IUPAC Name]
(1R,2S,3R,5S)-3-(2-{[2-(1-Éthyl-1H-imidazol-4-yl)éthyl]amino}-6-[(2-phényléthyl)amino]-9H-purin-9-yl)-5-(4-éthyl-1H-pyrazol-1-yl)-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-[2-[[2-(1-ethyl-1H-imidazol-4-yl)ethyl]amino]-6-[(2-phenylethyl)amino]-9H-purin-9-yl]-5-(4-ethyl-1H-pyrazol-1-yl)-, (1R,2S,3R,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: 897.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.6±37.1 °C
Index of Refraction: 1.729
Molar Refractivity: 160.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 25.30
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 97.45
ACD/KOC (pH 7.4): 809.02
Polar Surface Area: 144 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 401.7±7.0 cm3

Click to predict properties on the Chemicalize site


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