ChemSpider 2D Image | phelliribsin A | C22H18O7

phelliribsin A

  • Molecular FormulaC22H18O7
  • Average mass394.374 Da
  • Monoisotopic mass394.105255 Da
  • ChemSpider ID34485500

  • Double-bond stereo - Double-bond stereo

More details:

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

2'-Acetyl-5-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-5',6'-dihydroxy-2',3'-dihydro-3H-spiro[furan-2,1'-inden]-3-on [German] [ACD/IUPAC Name]
2'-Acetyl-5-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-5',6'-dihydroxy-2',3'-dihydro-3H-spiro[furan-2,1'-inden]-3-one [ACD/IUPAC Name]
2'-Acétyl-5-[(E)-2-(3,4-dihydroxyphényl)vinyl]-5',6'-dihydroxy-2',3'-dihydro-3H-spiro[furan-2,1'-inden]-3-one [French] [ACD/IUPAC Name]
phelliribsin A
Spiro[furan-2(3H),1'-[1H]inden]-3-one, 2'-acetyl-5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2',3'-dihydro-5',6'-dihydroxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 718.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 257.6±26.4 °C
Index of Refraction: 1.743
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 76.27
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 75.65
Polar Surface Area: 124 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 91.5±5.0 dyne/cm
Molar Volume: 250.5±5.0 cm3

Click to predict properties on the Chemicalize site


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