ChemSpider 2D Image | cercosporin | C29H26O10

cercosporin

  • Molecular FormulaC29H26O10
  • Average mass534.511 Da
  • Monoisotopic mass534.152588 Da
  • ChemSpider ID21169513

More details:

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

6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepin-5,11-dion [German] [ACD/IUPAC Name]
6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,11-dione [ACD/IUPAC Name]
6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-diméthoxypérylo[1,12-def][1,3]dioxépine-5,11-dione [French] [ACD/IUPAC Name]
9,19-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,?.0?,²².0¹?,²³]tricosa-1(23),2,4(22),5,8,10,15,18,20-nonaene-7,17-dione
cercosporin
Cercosporin from Cercospora hayii
MFCD00212919
Peryleno[1,12-def]-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy- [ACD/Index Name]
(13bR)-6,12-dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxy-perylo[1,12-def]-1,3-dioxepin-5,11-dione
6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperyleno[1,12-def][1,3]dioxepine-5,11-dione
More...

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

C6696_SIGMA [DBID]
DK0O6YH55G [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 894.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 301.7±27.8 °C
Index of Refraction: 1.756
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 425.51
ACD/KOC (pH 5.5): 2643.93
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 242.02
ACD/KOC (pH 7.4): 1503.80
Polar Surface Area: 152 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 89.2±5.0 dyne/cm
Molar Volume: 335.6±5.0 cm3

Click to predict properties on the Chemicalize site


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