ChemSpider 2D Image | 13,14-Dihydroxy-15-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-isobutyl-5,9-dioxo-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-3,7-dicarboxylic acid (non-preferred name) | C27H32O15

13,14-Dihydroxy-15-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-isobutyl-5,9-dioxo-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-3,7-dicarboxylic acid (non-preferred name)

  • Molecular FormulaC27H32O15
  • Average mass596.534 Da
  • Monoisotopic mass596.174133 Da
  • ChemSpider ID77484157

  • Double-bond stereo - Double-bond stereo

More details:

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

13,14-Dihydroxy-15-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-isobutyl-5,9-dioxo-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecan-3,7-dicarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
13,14-Dihydroxy-15-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-isobutyl-5,9-dioxo-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-3,7-dicarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide 13,14-dihydroxy-15-{[(2E)-3-(4-hydroxyphényl)-2-propenoyl]oxy}-3-isobutyl-5,9-dioxo-2,6,10,16-tétraoxabicyclo[10.3.1]hexadécane-3,7-dicarboxylique (non-preferred name) [French] [ACD/IUPAC Name]
13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-3,7-dicarboxylic acid
Compound NP-013011

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

Density: 1.5±0.1 g/cm3
Boiling Point: 930.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 305.7±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 392.8±5.0 cm3

Click to predict properties on the Chemicalize site


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