ChemSpider 2D Image | 1-{[(3R,5S)-2-{(3a'S,4'S,6'R,6a'S)-6'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'-yl}-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]methyl}-5-methyl-2,4(1H,3H )-pyrimidinedione | C28H41N3O9

1-{[(3R,5S)-2-{(3a'S,4'S,6'R,6a'S)-6'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'-yl}-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]methyl}-5-methyl-2,4(1H,3H )-pyrimidinedione

  • Molecular FormulaC28H41N3O9
  • Average mass563.640 Da
  • Monoisotopic mass563.284302 Da
  • ChemSpider ID9774157

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-{[(3R,5S)-2-{(3a'S,4'S,6'R,6a'S)-6'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'-yl}-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]methyl}-5-methyl-2,4(1H,3H )-pyrimidinedione [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.72
ACD/KOC (pH 5.5): 304.65
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.64
ACD/KOC (pH 7.4): 303.57
Polar Surface Area: 128 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 400.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement