ChemSpider 2D Image | 14-[3,4,5,11,16,17,18-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.0~2,7~]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.0~5,18~.0~6,11~]nonadec a-1(18),2,4,6,8,10-hexaene-12,17-dione | C34H24O22

14-[3,4,5,11,16,17,18-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadec a-1(18),2,4,6,8,10-hexaene-12,17-dione

  • Molecular FormulaC34H24O22
  • Average mass784.541 Da
  • Monoisotopic mass784.075928 Da
  • ChemSpider ID35014767

More details:

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

14-[3,4,5,11,16,17,18-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadec a-1(18),2,4,6,8,10-hexaen-12,17-dion [German] [ACD/IUPAC Name]
14-[3,4,5,11,16,17,18-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadec a-1(18),2,4,6,8,10-hexaene-12,17-dione [ACD/IUPAC Name]
14-[3,4,5,11,16,17,18-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadéca-1(19),2,4,6,15,17-hexaén-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatétracyclo[13.3.1.05,18.06,11]nonadéc a-1(18),2,4,6,8,10-hexaène-12,17-dione [French] [ACD/IUPAC Name]
4,7-Methanodibenzo[f,h][1,4]dioxecin-5,10-dione, 8-(4,5-dihydro-4,9,10,11,13,14,15-heptahydroxy-1,7-dioxo-7H-12,8-metheno-1H,3H-2,6-benzodioxacyclotetradecin-3-yl)-7,8-dihydro-1,2,3,12,13,14,15-heptah ydroxy- [ACD/Index Name]
14-{3,4,5,11,16,17,18-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl}-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1(18),2,4,6(11),7,9-hexaene-12,17-dione
2-Bdbp
2-Bdbp-BF4
2-Benzylamino-4-methyl-7-diethylaminobenzopyrylium
5-Desgalloylstachyurin
castanin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.854
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 99.74
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.08
Polar Surface Area: 388 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 142.6±3.0 dyne/cm
Molar Volume: 386.9±3.0 cm3

Click to predict properties on the Chemicalize site


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