ChemSpider 2D Image | (2R,3R,3aS,9aR)-3-Hydroxy-7-methyl-2-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one | C26H30N2O5Si

(2R,3R,3aS,9aR)-3-Hydroxy-7-methyl-2-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one

  • Molecular FormulaC26H30N2O5Si
  • Average mass478.612 Da
  • Monoisotopic mass478.192383 Da
  • ChemSpider ID128783036

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,3aS,9aR)-3-Hydroxy-7-methyl-2-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-on [German] [ACD/IUPAC Name]
(2R,3R,3aS,9aR)-3-Hydroxy-7-methyl-2-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one [ACD/IUPAC Name]
(2R,3R,3aS,9aR)-3-Hydroxy-7-méthyl-2-({[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}méthyl)-2,3,3a,9a-tétrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one [French] [ACD/IUPAC Name]
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-, (2R,3R,3aS,9aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 296.1±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 131.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3473.40
ACD/KOC (pH 5.5): 11914.24
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3473.37
ACD/KOC (pH 7.4): 11914.15
Polar Surface Area: 81 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 378.7±7.0 cm3

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