ChemSpider 2D Image | (1R,2S,3R,5R)-3-({5-(5-Ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-[(2-methoxyethyl)amino]-6-methyl-4-pyrimidinyl}amino)-5-(hydroxymethyl)-1,2-cyclopentanediol | C24H33N5O6

(1R,2S,3R,5R)-3-({5-(5-Ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-[(2-methoxyethyl)amino]-6-methyl-4-pyrimidinyl}amino)-5-(hydroxymethyl)-1,2-cyclopentanediol

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID28514811

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3R,5R)-3-({5-(5-Ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-[(2-methoxyethyl)amino]-6-methyl-4-pyrimidinyl}amino)-5-(hydroxymethyl)-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1R,2S,3R,5R)-3-({5-(5-Ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-[(2-methoxyethyl)amino]-6-methyl-4-pyrimidinyl}amino)-5-(hydroxymethyl)-1,2-cyclopentanediol [ACD/IUPAC Name]
(1R,2S,3R,5R)-3-({5-(5-Éthoxy-7-méthylfuro[2,3-c]pyridin-2-yl)-2-[(2-méthoxyéthyl)amino]-6-méthyl-4-pyrimidinyl}amino)-5-(hydroxyméthyl)-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-[(2-methoxyethyl)amino]-6-methyl-4-pyrimidinyl]amino]-5-(hydroxymethyl)-, (1R,2S,3R,5R)- [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: 708.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.4±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.84
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 119.92
Polar Surface Area: 155 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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