ChemSpider 2D Image | 2-Methyl-2-propanyl 1-({(2R,4R,5S,6S)-2-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl}methyl)-L-prolinate | C37H42N2O7

2-Methyl-2-propanyl 1-({(2R,4R,5S,6S)-2-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl}methyl)-L-prolinate

  • Molecular FormulaC37H42N2O7
  • Average mass626.739 Da
  • Monoisotopic mass626.299194 Da
  • ChemSpider ID5123482

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-({(2R,4R,5S,6S)-2-{4-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)méthyl]phényl}-6-[4-(hydroxyméthyl)phényl]-5-méthyl-1,3-dioxan-4-yl}méthyl)-L-prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-({(2R,4R,5S,6S)-2-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl}methyl)-L-prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-({(2R,4R,5S,6S)-2-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl}methyl)-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, 1-[[(2R,4R,5S,6S)-2-[4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

DIOX2_009813 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 753.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 409.8±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 114.20
ACD/KOC (pH 5.5): 293.33
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 4533.60
ACD/KOC (pH 7.4): 11644.56
Polar Surface Area: 106 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 502.7±3.0 cm3

Click to predict properties on the Chemicalize site


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