ChemSpider 2D Image | (3S,4S)-3,4-Bis{[3-hydroxy(2,4,6-~2~H_3_)phenyl]methyl}dihydro-2(3H)-furanone | C18H12D6O4

(3S,4S)-3,4-Bis{[3-hydroxy(2,4,6-2H3)phenyl]methyl}dihydro-2(3H)-furanone

  • Molecular FormulaC18H12D6O4
  • Average mass304.370 Da
  • Monoisotopic mass304.158173 Da
  • ChemSpider ID48059899
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3S,4S)-3,4-Bis{[3-hydroxy(2,4,6-2H3)phenyl]methyl}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4S)-3,4-Bis{[3-hydroxy(2,4,6-2H3)phenyl]methyl}dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4S)-3,4-Bis{[3-hydroxy(2,4,6-2H3)phényl]méthyl}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-3,4-bis[(3-hydroxyphenyl-2,4,6-d3)methyl]-, (3S,4S)- [ACD/Index Name]
(3S,4S)-3,4-bis[(2,4,6-trideuterio-3-hydroxyphenyl)methyl]oxolan-2-one
104411-11-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 561.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 209.0±16.7 °C
Index of Refraction: 1.635
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.24
ACD/KOC (pH 5.5): 549.60
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.96
ACD/KOC (pH 7.4): 546.44
Polar Surface Area: 67 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 229.7±3.0 cm3

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