ChemSpider 2D Image | (3R,5R)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3,5-heptanediyl diacetate | C23H28O7

(3R,5R)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3,5-heptanediyl diacetate

  • Molecular FormulaC23H28O7
  • Average mass416.464 Da
  • Monoisotopic mass416.183502 Da
  • ChemSpider ID26620428
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,5R)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3,5-heptandiyl-diacetat [German] [ACD/IUPAC Name]
(3R,5R)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3,5-heptanediyl diacetate [ACD/IUPAC Name]
1,2-Benzenediol, 4-[(3R,5R)-3,5-bis(acetyloxy)-7-(4-hydroxyphenyl)heptyl]- [ACD/Index Name]
Diacétate de (3R,5R)-1-(3,4-dihydroxyphényl)-7-(4-hydroxyphényl)-3,5-heptanediyle [French] [ACD/IUPAC Name]
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diyl diacetate
1269839-26-0 [RN]
MFCD28009388

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 206.8±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 320.85
ACD/KOC (pH 5.5): 2165.72
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.08
ACD/KOC (pH 7.4): 2147.01
Polar Surface Area: 113 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 334.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement