ChemSpider 2D Image | 11-Hydroxy-9-(hydroxymethyl)-3-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxy-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one | C21H24O7

11-Hydroxy-9-(hydroxymethyl)-3-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxy-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one

  • Molecular FormulaC21H24O7
  • Average mass388.411 Da
  • Monoisotopic mass388.152191 Da
  • ChemSpider ID40256570

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

11-Hydroxy-9-(hydroxymethyl)-3-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxy-5H,7H-dibenzo[b,g][1,5]dioxocin-5-on [German] [ACD/IUPAC Name]
11-Hydroxy-9-(hydroxymethyl)-3-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxy-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one [ACD/IUPAC Name]
11-Hydroxy-9-(hydroxyméthyl)-3-[(1S)-1-hydroxy-3-méthylbutyl]-4-méthoxy-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one [French] [ACD/IUPAC Name]
5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one, 11-hydroxy-9-(hydroxymethyl)-3-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxy- [ACD/Index Name]
Hydroxypenicillide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 232.2±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.18
ACD/KOC (pH 5.5): 142.61
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.41
ACD/KOC (pH 7.4): 127.25
Polar Surface Area: 105 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 297.3±3.0 cm3

Click to predict properties on the Chemicalize site


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