ChemSpider 2D Image | (7S)-3'-Hydroxy-6',7-dimethyl-4-[(3E)-3-methyl-2-oxo-3-penten-1-yl]-6,8-dioxo-3',4,4',5',6,6',7,8-octahydrospiro[isochromene-3,2'-pyran]-7-yl acetate | C23H28O8

(7S)-3'-Hydroxy-6',7-dimethyl-4-[(3E)-3-methyl-2-oxo-3-penten-1-yl]-6,8-dioxo-3',4,4',5',6,6',7,8-octahydrospiro[isochromene-3,2'-pyran]-7-yl acetate

  • Molecular FormulaC23H28O8
  • Average mass432.464 Da
  • Monoisotopic mass432.178406 Da
  • ChemSpider ID28521528
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 5 defined stereocentres


More details:






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

(7S)-3'-Hydroxy-6',7-dimethyl-4-[(3E)-3-methyl-2-oxo-3-penten-1-yl]-6,8-dioxo-3',4,4',5',6,6',7,8-octahydrospiro[isochromene-3,2'-pyran]-7-yl acetate [ACD/IUPAC Name]
(7S)-3'-Hydroxy-6',7-dimethyl-4-[(3E)-3-methyl-2-oxo-3-penten-1-yl]-6,8-dioxo-3',4,4',5',6,6',7,8-octahydrospiro[isochromene-3,2'-pyran]-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (7S)-3'-hydroxy-6',7-diméthyl-4-[(3E)-3-méthyl-2-oxo-3-pentén-1-yl]-6,8-dioxo-3',4,4',5',6,6',7,8-octahydrospiro[isochromene-3,2'-pyran]-7-yle [French] [ACD/IUPAC Name]
Spiro[3H-2-benzopyran-3,2'-[2H]pyran]-6,8(4H,7H)-dione, 7-(acetyloxy)-3',4',5',6'-tetrahydro-3'-hydroxy-6',7-dimethyl-4-[(3E)-3-methyl-2-oxo-3-penten-1-yl]-, (7S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 219.8±25.0 °C
Index of Refraction: 1.562
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.09
ACD/KOC (pH 5.5): 318.99
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.09
ACD/KOC (pH 7.4): 318.99
Polar Surface Area: 116 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 334.9±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement