ChemSpider 2D Image | 4-{[(3R,4S,5S,6S)-6-(Dihydroxymethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(3-hydroxybutyl)-1,2-diphenyl-3,5-pyrazolidinedione (non-preferred name) | C25H30N2O10

4-{[(3R,4S,5S,6S)-6-(Dihydroxymethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(3-hydroxybutyl)-1,2-diphenyl-3,5-pyrazolidinedione (non-preferred name)

  • Molecular FormulaC25H30N2O10
  • Average mass518.513 Da
  • Monoisotopic mass518.190063 Da
  • ChemSpider ID58993977

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

4-{[(3R,4S,5S,6S)-6-(Dihydroxymethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(3-hydroxybutyl)-1,2-diphenyl-3,5-pyrazolidindion (non-preferred name) [German] [ACD/IUPAC Name]
4-{[(3R,4S,5S,6S)-6-(Dihydroxymethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(3-hydroxybutyl)-1,2-diphenyl-3,5-pyrazolidinedione (non-preferred name) [ACD/IUPAC Name]
4-{[(3R,4S,5S,6S)-6-(Dihydroxyméthyl)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}-4-(3-hydroxybutyl)-1,2-diphényl-3,5-pyrazolidinedione (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 721.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.9±35.7 °C
Index of Refraction: 1.701
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.12
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.12
Polar Surface Area: 180 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 92.4±5.0 dyne/cm
Molar Volume: 331.3±5.0 cm3

Click to predict properties on the Chemicalize site


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