ChemSpider 2D Image | (5Z)-3-(2-{5-Acetyl-2-[(3E,5E)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl}-4,5-dihydroxyphenyl)-4-hydroxy-5-(4-hydroxybenzylidene)-2(5H)-furanone | C35H34O11

(5Z)-3-(2-{5-Acetyl-2-[(3E,5E)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl}-4,5-dihydroxyphenyl)-4-hydroxy-5-(4-hydroxybenzylidene)-2(5H)-furanone

  • Molecular FormulaC35H34O11
  • Average mass630.638 Da
  • Monoisotopic mass630.210083 Da
  • ChemSpider ID78444427

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-3-(2-{5-Acetyl-2-[(3E,5E)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl}-4,5-dihydroxyphenyl)-4-hydroxy-5-(4-hydroxybenzyliden)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-3-(2-{5-Acetyl-2-[(3E,5E)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl}-4,5-dihydroxyphenyl)-4-hydroxy-5-(4-hydroxybenzylidene)-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-3-(2-{5-Acétyl-2-[(3E,5E)-5,7-diméthyl-2-oxo-3,5-nonadién-1-yl]-4,5-dihydroxy-3-oxo-1-cyclopentén-1-yl}-4,5-dihydroxyphényl)-4-hydroxy-5-(4-hydroxybenzylidène)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[2-[5-acetyl-2-[(3E,5E)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl]-4,5-dihydroxyphenyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylene]-, (5Z)- [ACD/Index Name]
Kodaistatin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 873.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 277.2±27.8 °C
Index of Refraction: 1.694
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 72.81
ACD/KOC (pH 5.5): 379.13
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 6.11
Polar Surface Area: 199 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 433.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement