ChemSpider 2D Image | (5R,7R,8S,9R)-8,9-Dihydroxy-4-oxo-2,2-dipentyl-1,3-dioxaspiro[4.5]dec-7-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate | C27H38O9

(5R,7R,8S,9R)-8,9-Dihydroxy-4-oxo-2,2-dipentyl-1,3-dioxaspiro[4.5]dec-7-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate

  • Molecular FormulaC27H38O9
  • Average mass506.585 Da
  • Monoisotopic mass506.251587 Da
  • ChemSpider ID24650579

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-3-(3,4-Dihydroxyphényl)acrylate de (5R,7R,8S,9R)-8,9-dihydroxy-4-oxo-2,2-dipentyl-1,3-dioxaspiro[4.5]déc-7-yle [French] [ACD/IUPAC Name]
(5R,7R,8S,9R)-8,9-Dihydroxy-4-oxo-2,2-dipentyl-1,3-dioxaspiro[4.5]dec-7-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate [ACD/IUPAC Name]
(5R,7R,8S,9R)-8,9-Dihydroxy-4-oxo-2,2-dipentyl-1,3-dioxaspiro[4.5]dec-7-yl-(2E)-3-(3,4-dihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (5R,7R,8S,9R)-8,9-dihydroxy-4-oxo-2,2-dipentyl-1,3-dioxaspiro[4.5]dec-7-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 223.3±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1569.71
ACD/KOC (pH 5.5): 6747.39
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1540.74
ACD/KOC (pH 7.4): 6622.86
Polar Surface Area: 143 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 391.0±5.0 cm3

Click to predict properties on the Chemicalize site


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